N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(5-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(5-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC(C)(C#N)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N[C@](C)(C#N)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-13-17-19(28-18(13)14-6-4-3-5-7-14)23-12-25(20(17)27)10-16(26)24-21(2,11-22)15-8-9-15/h3-7,12,15H,8-10H2,1-2H3,(H,24,26)/t21-/m1/s1