methyl 6-(3-chloranyl-4,5-dimethoxy-phenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-chloranyl-4,5-dimethoxy-phenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-chloro-4,5-dimethoxy-phenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-4,5-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-chloro-4,5-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chloro-4,5-dimethoxy-phenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=C(C(=C3)Cl)OC)OC)C(=O)OC)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC(=C(C(=C3)Cl)OC)OC)C(=O)OC)C)F

InChI

InChI=1S/C22H22ClFN2O4S/c1-11-6-7-14(10-16(11)24)26-12(2)18(21(27)30-5)19(25-22(26)31)13-8-15(23)20(29-4)17(9-13)28-3/h6-10,19H,1-5H3,(H,25,31)