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

Systemtic Name: ethyl (4S)-6-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)CCN3C(=CC(=N3)C)C

InChI

InChI=1S/C22H26N4O5/c1-4-30-21(28)19-17(23-22(29)24-20(19)16-8-6-5-7-9-16)13-31-18(27)10-11-26-15(3)12-14(2)25-26/h5-9,12,20H,4,10-11,13H2,1-3H3,(H2,23,24,29)/t20-/m0/s1