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

Systemtic Name: propan-2-yl (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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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)OC(C)C)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)OC(C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O4/c1-5-6-16-35-22-14-12-20(13-15-22)25-23(17-32(31-25)21-10-8-7-9-11-21)26-24(27(33)36-18(2)3)19(4)29-28(34)30-26/h7-15,17-18,26H,5-6,16H2,1-4H3,(H2,29,30,34)/t26-/m0/s1