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

Systemtic Name: 2-[7-hexyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-hexyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(7-hexyl-3-methyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(7-hexyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-hexyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25N5O3S/c1-3-4-5-9-12-25-16-17(24(2)19(28)23-18(16)27)22-20(25)29-13-15(26)21-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3,(H,21,26)(H,23,27,28)