2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(benzylcarbamoyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N6O4/c1-21-14-13(15(25)22(2)17(21)27)23(10-19-14)9-12(24)20-16(26)18-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,18,20,24,26)