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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide Traditional Name: N-benzyl-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3/c1-11(15(23)18-9-12-7-5-4-6-8-12)22-10-19-14-13(22)16(24)21(3)17(25)20(14)2/h4-8,10-11H,9H2,1-3H3,(H,18,23)