N-(cyanomethyl)-2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-(4-oxo-3-thieno[3,2-d]pyrimidinyl)-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-(4-ketothieno[3,2-d]pyrimidin-3-yl)-N-phenyl-acetamide Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CN2C=NC3=C(C2=O)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CN2C=NC3=C(C2=O)SC=C3

InChI

InChI=1S/C16H12N4O2S/c17-7-8-20(12-4-2-1-3-5-12)14(21)10-19-11-18-13-6-9-23-15(13)16(19)22/h1-6,9,11H,8,10H2