N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-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-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC(C)(C#N)C(C)C)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N[C@@](C)(C#N)C(C)C)CC=C)C

InChI

InChI=1S/C19H24N4O2S2/c1-7-8-23-17(25)15-12(4)13(5)27-16(15)21-18(23)26-9-14(24)22-19(6,10-20)11(2)3/h7,11H,1,8-9H2,2-6H3,(H,22,24)/t19-/m0/s1