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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4/c1-22-15-14(16(26)23(2)18(22)28)24(11-20-15)9-8-13(25)21-17(27)19-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,19,21,25,27)