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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(2-ethyl-6-methyl-phenyl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(2-ethyl-6-methyl-phenyl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(2-ethyl-6-methylphenyl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(2-ethyl-6-methyl-phenyl)butyramide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C20H25N5O3/c1-5-14-9-6-8-13(2)16(14)22-15(26)10-7-11-25-12-21-18-17(25)19(27)24(4)20(28)23(18)3/h6,8-9,12H,5,7,10-11H2,1-4H3,(H,22,26)