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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H20N6O4/c1-11(15(25)21-17(27)19-9-12-7-5-4-6-8-12)24-10-20-14-13(24)16(26)23(3)18(28)22(14)2/h4-8,10-11H,9H2,1-3H3,(H2,19,21,25,27)