(phenylmethyl) 6-methyl-2-oxidanylidene-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-2-oxidanylidene-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-2-oxo-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H22N4O3S/c1-17-22(25(31)33-16-18-9-4-2-5-10-18)24(28-26(32)27-17)20-15-30(19-11-6-3-7-12-19)29-23(20)21-13-8-14-34-21/h2-15,24H,16H2,1H3,(H2,27,28,32)