ethyl (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3-cyano-1,2,4-triazol-4-yl)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C=NN=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CN3C=NN=C3C#N

InChI

InChI=1S/C17H16N6O3/c1-2-26-16(24)14-12(9-23-10-19-22-13(23)8-18)20-17(25)21-15(14)11-6-4-3-5-7-11/h3-7,10,15H,2,9H2,1H3,(H2,20,21,25)/t15-/m0/s1