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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-methylsulfanylphenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(4-methylsulfanylphenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[4-(methylthio)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-methylsulfanylphenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[4-(methylthio)phenyl]propionamide Formula: C24H33N5O3S MolecularWeight: 471.61552

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)SC

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O3S/c1-4-6-8-16-28-19(13-14-20(30)25-17-9-11-18(33-3)12-10-17)26-22-21(28)23(31)27-24(32)29(22)15-7-5-2/h9-12H,4-8,13-16H2,1-3H3,(H,25,30)(H,27,31,32)