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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

InChI

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