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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(furan-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-5-(2-furyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(2-furanyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[5-(furan-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-5-(2-furyl)-4-keto-thieno[2,3-d]pyrimidin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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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=CO3)C(=O)N1CC=C

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1CC=C

InChI

InChI=1S/C21H22N4O3S2/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)