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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C26H37N5O3S MolecularWeight: 499.66868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C26H37N5O3S/c1-4-6-8-17-30-21(28-24-23(30)25(33)29-26(34)31(24)16-7-5-2)13-14-22(32)27-15-18-35-20-11-9-19(3)10-12-20/h9-12H,4-8,13-18H2,1-3H3,(H,27,32)(H,29,33,34)