(phenylmethyl) 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,5-dimethoxyphenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,5-dimethoxyphenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-30-19-13-14-21(31-2)20(15-19)24-22(25(29)32-16-17-9-5-3-6-10-17)23(27-26(33)28-24)18-11-7-4-8-12-18/h3-15,24H,16H2,1-2H3,(H2,27,28,33)