2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-methyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-methyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(3-methyl-7-octyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(3-methyl-7-octyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2,6-diketo-3-methyl-7-octyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C22H29N5O3S MolecularWeight: 443.56236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29N5O3S/c1-3-4-5-6-7-11-14-27-18-19(26(2)21(30)25-20(18)29)24-22(27)31-15-17(28)23-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3,(H,23,28)(H,25,29,30)