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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[4-(5-methylpyrazol-1-yl)phenyl]carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[[4-(5-methyl-1-pyrazolyl)phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)C2=CC=C(C=C2)N3C(=CC=N3)C)C(=O)OCC

InChI

InChI=1S/C21H24N4O5/c1-4-16-18(20(27)29-5-2)17(24-21(28)23-16)12-30-19(26)14-6-8-15(9-7-14)25-13(3)10-11-22-25/h6-11,16H,4-5,12H2,1-3H3,(H2,23,24,28)/t16-/m0/s1