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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-benzyl-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O3/c1-4-13(16(24)19-10-12-8-6-5-7-9-12)23-11-20-15-14(23)17(25)22(3)18(26)21(15)2/h5-9,11,13H,4,10H2,1-3H3,(H,19,24)