N-(1-cyano-1-cyclopropyl-ethyl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C20H20N4O2S3 MolecularWeight: 444.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NC(C)(C#N)C3CC3)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NC(C)(C#N)C3CC3)SC=C2C4=CC=CS4

InChI

InChI=1S/C20H20N4O2S3/c1-3-24-18(26)16-13(14-5-4-8-27-14)9-28-17(16)22-19(24)29-10-15(25)23-20(2,11-21)12-6-7-12/h4-5,8-9,12H,3,6-7,10H2,1-2H3,(H,23,25)