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

Systemtic Name: N-(1-cyanocyclopentyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-[3-isopentyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclopentyl)-2-[[3-(3-methylbutyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-[3-(3-methylbutyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclopentyl)-2-[[3-isoamyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C23H26N4O2S3 MolecularWeight: 486.67314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3(CCCC3)C#N)SC=C2C4=CC=CS4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3(CCCC3)C#N)SC=C2C4=CC=CS4

InChI

InChI=1S/C23H26N4O2S3/c1-15(2)7-10-27-21(29)19-16(17-6-5-11-30-17)12-31-20(19)25-22(27)32-13-18(28)26-23(14-24)8-3-4-9-23/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,26,28)