Molecule FYI-1002094

Home > Molecule

A

Molecule Summary:

ID: FYI-1002094
Names:
InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: Cn1cnc2c1c(=O)n(C)c(=O)n2C

Received at FYIcenter.com on: 2023-01-28

Molecule ID: FYI-1002094 Edit

Molecule Structure InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cnc2c1c(=O)n(C)c(=O)n2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002094
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-1002094-3D
FYIcenter.com

 24 25  0     0  0  0  0  0  0999 V2000
    0.4700    2.5688    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271   -0.4436   -0.0003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9686   -1.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2182    0.1412   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3477    1.0797   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119   -1.9372    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    0.2592   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897   -1.0264   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307    1.4220   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9061   -0.2495   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -1.1998    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -2.6960    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    1.2061    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969    2.1881    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5163   -1.5787    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -3.1973   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5186   -2.7596    0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -3.1963    0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1992    0.7801    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    1.8092   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466    1.8083    0.9004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8087    3.1651   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322    2.1027    0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9346    2.1021   -0.8849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  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

2023-02-19, 1748👍, 0💬