3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3,4-dimethylphenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3,4-dimethylphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3,4-dimethylphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(3,4-dimethylphenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3,4-dimethylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3,4-dimethylphenyl)propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H35N5O3/c1-5-7-9-15-29-20(12-13-21(31)26-19-11-10-17(3)18(4)16-19)27-23-22(29)24(32)28-25(33)30(23)14-8-6-2/h10-11,16H,5-9,12-15H2,1-4H3,(H,26,31)(H,28,32,33)