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

Systemtic Name: ethyl (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-4-pyrazolyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(C=C2C3C(=C(NC(=O)N3)C)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(C=C2[C@H]3C(=C(NC(=O)N3)C)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c1-4-6-16-35-21-14-12-19(13-15-21)24-22(17-31(30-24)20-10-8-7-9-11-20)25-23(26(32)34-5-2)18(3)28-27(33)29-25/h7-15,17,25H,4-6,16H2,1-3H3,(H2,28,29,33)/t25-/m0/s1