N-(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C16H14N4O2S3 MolecularWeight: 390.50296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NCCC#N)SC=C2C3=CC=CS3

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NCCC#N)SC=C2C3=CC=CS3

InChI

InChI=1S/C16H14N4O2S3/c1-20-15(22)13-10(11-4-2-7-23-11)8-24-14(13)19-16(20)25-9-12(21)18-6-3-5-17/h2,4,7-8H,3,6,9H2,1H3,(H,18,21)