Molecule FYI-1010497

Home > Molecule

A

Molecule Summary:

ID: FYI-1010497
Names:
InChIKey: AQTUHJQKCBVYIF-UHFFFAOYSA-N
SMILES: NOc1c(N)c(N)c(N)c(N)c1N

Received at FYIcenter.com on: 2024-06-10

Molecule ID: FYI-1010497 Edit

Molecule Structure InChIKey: AQTUHJQKCBVYIF-UHFFFAOYSA-N

Molecule Structure SMILES String: NOc1c(N)c(N)c(N)c(N)c1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1010497
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010497-3D
FYIcenter.com

 25 25  0     0  0  0  0  0  0999 V2000
    2.4867   -0.0005   -0.3784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    0.0007    0.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6532    2.4350    0.0741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6545   -2.4343    0.0737 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461   -2.4296   -0.2310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472    2.4289   -0.2312 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232    0.0001    0.9344 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439    0.0004    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9504    1.2082   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9509   -1.2079   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358   -1.2083   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361    1.2078   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1294   -0.0004   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    0.8664    0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5676   -0.8647    0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562    2.4538    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    3.3154    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6573   -2.4524    0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1641   -3.3149    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752   -3.3201   -0.1784 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1519   -2.4083   -0.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6763    3.3196   -0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1527    2.4070   -0.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264   -0.8166    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7265    0.8167    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 142👍, 0💬