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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-methyl-2-phenyl-butyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methyl-2-phenyl-butyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-methyl-2-phenylbutyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methyl-2-phenylbutyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-methyl-2-phenyl-butyl)butyramide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H29N5O3/c1-15(2)17(16-9-6-5-7-10-16)13-23-18(28)11-8-12-27-14-24-20-19(27)21(29)26(4)22(30)25(20)3/h5-7,9-10,14-15,17H,8,11-13H2,1-4H3,(H,23,28)