Molecule FYI-1002322

A

Molecule Summary:

ID: FYI-1002322
Names:
InChIKey: RXMUPNVSYKGKMY-UHFFFAOYSA-N
SMILES: CN(C)c1nc(N)c(C(=O)/N=C(N)\\N)nc1Cl

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002322 Edit

Molecule Structure InChIKey: RXMUPNVSYKGKMY-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c1nc(N)c(C(=O)/N=C(N)\N)nc1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002322
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  1  0  0  0  0
 13 17  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002322-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    1.8829    2.4629    0.9226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3848   -1.7357    1.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4026    0.1612   -0.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5164   -1.2745   -0.4143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348    0.7438    0.7633 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3936   -2.6869   -0.4568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7243    0.5252    0.6962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0791    1.9739   -0.6686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1478    0.0880   -1.5515 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0351   -0.0737   -0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2083   -1.4482   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -0.4528    0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733    0.9176    0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4057   -0.1521    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    0.7050   -1.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9664   -0.6237    0.7431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2917    0.8700   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980   -1.2299    0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3523    0.3598    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0802    0.1521    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3644    0.1431   -2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5152    1.7535   -1.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    0.6557   -1.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.3886   -0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764   -2.7023   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2798    2.6426    0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4776    2.1531   -1.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144   -0.7736   -1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5868    0.3528   -2.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 17  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 17  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
$$$$

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2023-03-17, 1413👍, 0💬