ethyl (6S)-4-[(4-chloranylpyrazol-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-[(4-chloranylpyrazol-1-yl)methyl]-3-ethyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-4-[(4-chloropyrazol-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-[(4-chloro-1-pyrazolyl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-4-[(4-chloropyrazol-1-yl)methyl]-3-ethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-[(4-chloropyrazol-1-yl)methyl]-3-ethyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3C=C(C=N3)Cl

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3C=C(C=N3)Cl

InChI

InChI=1S/C19H21ClN4O3/c1-3-24-15(12-23-11-14(20)10-21-23)16(18(25)27-4-2)17(22-19(24)26)13-8-6-5-7-9-13/h5-11,17H,3-4,12H2,1-2H3,(H,22,26)/t17-/m0/s1