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PDBeChem : Molecule Descriptors
Molecule : D7C
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H19N7O/c1-11-8-12(2)26-18(20-11)22-16(23-26)9-17(27)25-13(3)10-24-15-7-5-4-6-14(15)21-19(24)25/h4-8,13H,9-10H2,1-3H3/t13-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
FWIWLYXORKTJJN-ZDUSSCGKSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
C[CH]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4CC3C)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@H]1Cn2c3ccccc3nc2N1C(=O)Cc4nn5c(C)cc(C)nc5n4 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1cc(n2c(n1)nc(n2)CC(=O)N3c4nc5ccccc5n4C[C@@H]3C)C |
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