(phenylmethyl) 4-methylidene-2-oxidanylidene-6-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1,3-diazinane-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C=C1C(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/h2-15,22,24H,1,16H2,(H2,27,28,32)