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

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(4-pentylphenyl)propanamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(4-pentylphenyl)propanamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(4-pentylphenyl)propanamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-pentylphenyl)propanamide Traditional Name: N-(4-amylphenyl)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propionamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H27N5O3/c1-4-5-6-7-15-8-10-16(11-9-15)23-17(27)12-13-26-14-22-19-18(26)20(28)25(3)21(29)24(19)2/h8-11,14H,4-7,12-13H2,1-3H3,(H,23,27)