N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(4-oxidanylidene-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4-oxo-5-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(4-oxo-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC=C

InChI

InChI=1S/C23H22N4O2S2/c1-3-11-27-21(29)19-17(15-7-5-4-6-8-15)12-30-20(19)25-22(27)31-13-18(28)26-23(2,14-24)16-9-10-16/h3-8,12,16H,1,9-11,13H2,2H3,(H,26,28)/t23-/m0/s1