N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C21H20N4OS2/c1-13-23-19(27-11-18(26)25-21(2,12-22)15-8-9-15)16-10-17(28-20(16)24-13)14-6-4-3-5-7-14/h3-7,10,15H,8-9,11H2,1-2H3,(H,25,26)/t21-/m1/s1