N-(4-methylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(p-tolyl)-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-methylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]-N-(p-tolyl)acetamide Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C17H19N5O3S/c1-10-5-7-11(8-6-10)18-12(23)9-26-16-19-13-14(20(16)2)21(3)17(25)22(4)15(13)24/h5-8H,9H2,1-4H3,(H,18,23)