Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : D7C    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
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