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

Systemtic Name: methyl (4S)-4-[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

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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)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)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-4-5-15-34-20-13-11-18(12-14-20)23-21(16-30(29-23)19-9-7-6-8-10-19)24-22(25(31)33-3)17(2)27-26(32)28-24/h6-14,16,24H,4-5,15H2,1-3H3,(H2,27,28,32)/t24-/m0/s1