2-[7-hexyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[7-hexyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-hexyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(7-hexyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(7-hexyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-hexyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O3S/c1-4-5-6-10-13-26-17-18(24(2)21(29)25(3)19(17)28)23-20(26)30-14-16(27)22-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3,(H,22,27)