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

Systemtic Name: N-phenyl-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-phenyl-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-phenyl-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-phenyl-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-phenyl-acetamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H17N5O3S/c1-19-13-12(14(23)21(3)16(24)20(13)2)18-15(19)25-9-11(22)17-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,22)