N-(4-acetamidophenyl)-2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H26N6O4S/c1-5-6-11-27-17-18(25(3)21(31)26(4)19(17)30)24-20(27)32-12-16(29)23-15-9-7-14(8-10-15)22-13(2)28/h7-10H,5-6,11-12H2,1-4H3,(H,22,28)(H,23,29)