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

Systemtic Name: N-(4-acetamidophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N6O4S/c1-11(2)26-16-17(24(4)20(30)25(5)18(16)29)23-19(26)31-10-15(28)22-14-8-6-13(7-9-14)21-12(3)27/h6-9,11H,10H2,1-5H3,(H,21,27)(H,22,28)