Molecule FYI-1001470

Home > Molecule

A

Molecule Summary:

ID: FYI-1001470
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Received at FYIcenter.com on: 2022-08-04

Molecule ID: FYI-1001470 Edit

Molecule Structure SMILES String: CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001470
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5302    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    4.9159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    3.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001470-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   -3.2458   -1.1361    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2664   -0.0793    0.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5232    1.2651   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4102    1.9731   -0.0103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152    1.0421   -0.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092   -0.2274   -0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0860   -1.3848    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5427   -2.5245    0.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2774   -1.0789    0.0090 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8286    0.2191    0.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    0.3874    0.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362    1.2921    0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4281    2.6576    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2233   -2.1768    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2498   -0.7050    0.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1131   -1.7050    0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0966   -1.7761   -0.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5263    1.6735   -0.0099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5204    2.6964    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    3.1741    0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    3.1669   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7336   -3.1537    0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -2.0934    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8666   -2.1032   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 879👍, 0💬