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

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4O3S/c1-3-28-20(26)17-13(2)22-21(27)23-19(17)15-12-25(14-8-5-4-6-9-14)24-18(15)16-10-7-11-29-16/h4-12,19H,3H2,1-2H3,(H2,22,23,27)