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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H29N5O3/c1-4-5-6-8-16-10-12-17(13-11-16)24-18(28)9-7-14-27-15-23-20-19(27)21(29)26(3)22(30)25(20)2/h10-13,15H,4-9,14H2,1-3H3,(H,24,28)