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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-methyl-1-phenyl-butyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methyl-1-phenyl-butyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-methyl-1-phenylbutyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methyl-1-phenylbutyl)propanamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-methyl-1-phenyl-butyl)propionamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)CC(C1=CC=CC=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3/c1-14(2)12-16(15-8-6-5-7-9-15)23-17(27)10-11-26-13-22-19-18(26)20(28)25(4)21(29)24(19)3/h5-9,13-14,16H,10-12H2,1-4H3,(H,23,27)