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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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