4-(2-azanyl-6-cyano-purin-9-yl)benzamide

Systemtic Name: 4-(2-azanyl-6-cyano-purin-9-yl)benzamide Openeye Name: 4-(2-amino-6-cyano-purin-9-yl)benzamide CAS Name: 4-(2-amino-6-cyano-9-purinyl)benzamide IUPAC Name: 4-(2-amino-6-cyanopurin-9-yl)benzamide Traditional Name: 4-(2-amino-6-cyano-purin-9-yl)benzamide Formula: C13H9N7O MolecularWeight: 279.25686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)N2C=NC3=C(N=C(N=C32)N)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)N2C=NC3=C(N=C(N=C32)N)C#N

InChI

InChI=1S/C13H9N7O/c14-5-9-10-12(19-13(16)18-9)20(6-17-10)8-3-1-7(2-4-8)11(15)21/h1-4,6H,(H2,15,21)(H2,16,18,19)