N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC=C

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1CC=C

InChI

InChI=1S/C21H22N4O2S3/c1-5-8-25-19(27)17-14(15-7-6-9-28-15)10-29-18(17)23-20(25)30-11-16(26)24-21(4,12-22)13(2)3/h5-7,9-10,13H,1,8,11H2,2-4H3,(H,24,26)/t21-/m0/s1