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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c1-20(11-21,14-7-8-14)23-17(25)10-24-12-22-18-15(19(24)26)9-16(27-18)13-5-3-2-4-6-13/h2-6,9,12,14H,7-8,10H2,1H3,(H,23,25)/t20-/m1/s1