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

Systemtic Name: N-(1-cyanocyclohexyl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NC3(CCCCC3)C#N)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NC3(CCCCC3)C#N)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S3/c1-2-25-19(27)17-14(15-7-6-10-28-15)11-29-18(17)23-20(25)30-12-16(26)24-21(13-22)8-4-3-5-9-21/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,24,26)