Molecule FYI-1008515

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A

Molecule Summary:

ID: FYI-1008515
Names:
InChIKey: UCCZKFHLOCFPRE-UHFFFAOYSA-N
SMILES: CC(C)(C)CNc1ccnc(N)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008515 Edit

Molecule Structure InChIKey: UCCZKFHLOCFPRE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)CNc1ccnc(N)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008515
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.3622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008515-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    0.6111    0.3435    0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6584    0.9692    0.0093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   -0.7391   -0.0128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9352    1.5354   -0.0030 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0776    0.0667   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6916   -0.6160    0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2302    0.9245    1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2054   -0.9795   -0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    0.9833   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -0.0083    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -1.3547   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759   -1.6643   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    0.5392   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6309   -1.2490    0.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6115   -1.2685   -0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5111    1.7490    1.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299    1.3723    1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986    0.3195    2.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1530   -1.6356    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353   -1.6097   -0.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1923   -0.5035   -0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    1.8154   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088    1.4211   -1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0377    0.4205   -2.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079    1.3368    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3079   -2.1588    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7116   -2.6958   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9082    1.2624   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6666    2.5096    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  2  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1549👍, 0💬