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

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[(3-phenyl-1H-pyrazol-5-yl)carbonyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[(3-phenyl-1H-pyrazole-5-carbonyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H22N4O5/c1-3-13-17(19(26)28-4-2)16(22-20(27)21-13)11-29-18(25)15-10-14(23-24-15)12-8-6-5-7-9-12/h5-10,13H,3-4,11H2,1-2H3,(H,23,24)(H2,21,22,27)/t13-/m0/s1