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

Systemtic Name: methyl 6-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-[(3-chloro-4-fluoro-phenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-4-fluorophenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3-chloro-4-fluoro-phenyl)sulfonylmethyl]-4-(4-hydroxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H16ClFN2O6S MolecularWeight: 454.856543

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)O)CS(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)O)CS(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN2O6S/c1-29-18(25)16-15(9-30(27,28)12-6-7-14(21)13(20)8-12)22-19(26)23-17(16)10-2-4-11(24)5-3-10/h2-8,17,24H,9H2,1H3,(H2,22,23,26)