4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-ethanoylphenyl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-ethanoylphenyl)butanamide Openeye Name: N-(3-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(3-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(3-acetylphenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(3-acetylphenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H21N5O4/c1-12(25)13-6-4-7-14(10-13)21-15(26)8-5-9-24-11-20-17-16(24)18(27)23(3)19(28)22(17)2/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,21,26)