methyl 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(2,4-dimethylphenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)O)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)CC2=C(C(NC(=O)N2)C3=CC=C(C=C3)O)C(=O)OC)C

InChI

InChI=1S/C21H22N2O6S/c1-12-4-9-17(13(2)10-12)30(27,28)11-16-18(20(25)29-3)19(23-21(26)22-16)14-5-7-15(24)8-6-14/h4-10,19,24H,11H2,1-3H3,(H2,22,23,26)