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

Systemtic Name: 2-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)thio]-N-(2,6-dimethylphenyl)acetamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC=C3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC=C3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C25H35N5O3S/c1-6-7-8-9-10-11-15-30-21-22(28(4)25(33)29(5)23(21)32)27-24(30)34-16-19(31)26-20-17(2)13-12-14-18(20)3/h12-14H,6-11,15-16H2,1-5H3,(H,26,31)