Molecule FYI-1010165

A

Molecule Summary:

ID: FYI-1010165
Names:
InChIKey: JKJLETUKWLALKV-UHFFFAOYSA-N
SMILES: CCn1c(C)c(C)n2c1nc3c2c(=O)n(C)c(=O)n3C

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010165 Edit

Molecule Structure InChIKey: JKJLETUKWLALKV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn1c(C)c(C)n2c1nc3c2c(=O)n(C)c(=O)n3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010165
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6479    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7943    1.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0732    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2058    1.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617    2.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3827    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    5.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    7.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950    9.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8712    4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2196    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4985    3.9236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  2  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010165-3D
FYIcenter.com

 37 39  0     0  0  0  0  0  0999 V2000
   -1.4405   -2.5990   -0.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3510    1.0709   -0.0564 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781   -0.5425    0.0869 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6487    0.5902    0.2539 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3794    1.6593    0.2098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    1.4868    0.0825 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9106   -0.7725   -0.1002 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2974    0.7282    0.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004   -1.4886    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5790   -0.4232    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608   -0.7857    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921    0.9391    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506    1.7118    0.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296   -1.3879   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5727   -2.9478   -0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3648   -1.2748    0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1938    0.6366   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    2.1119   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478    2.9316    0.1659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0763   -1.6443   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    2.5665    0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517    1.4656    0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9800   -3.3170    0.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5093   -3.5119   -0.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -3.1781   -0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4226   -2.3648    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726   -0.9733    1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9191   -0.8683   -0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329    1.2939   -1.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    2.4021   -1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    2.9645   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173    3.2890    1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3040    3.2107    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330    3.4023   -0.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8052   -2.7014   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6344   -1.3734   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7226   -1.4774    0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1200👍, 0💬