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

Systemtic Name: N-(3-acetamidophenyl)-2-[7-ethyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(7-ethyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)NC3=CC=CC(=C3)NC(=O)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N6O4S/c1-5-25-15-16(23(3)19(29)24(4)17(15)28)22-18(25)30-10-14(27)21-13-8-6-7-12(9-13)20-11(2)26/h6-9H,5,10H2,1-4H3,(H,20,26)(H,21,27)