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

Systemtic Name: ethyl 6-(3,4-dimethoxyphenyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)C)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)C)F)C

InChI

InChI=1S/C23H25FN2O4S/c1-6-30-22(27)20-14(3)26(16-9-7-13(2)17(24)12-16)23(31)25-21(20)15-8-10-18(28-4)19(11-15)29-5/h7-12,21H,6H2,1-5H3,(H,25,31)