methyl 4-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[3-(3-chloro-4-fluoro-phenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[3-(3-chloro-4-fluorophenyl)-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-chloro-4-fluorophenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[3-(3-chloro-4-fluoro-phenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C24H23ClFN3O4S MolecularWeight: 503.973523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(=O)OC)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(=O)OC)C(=O)N4CCOCC4

InChI

InChI=1S/C24H23ClFN3O4S/c1-14-20(22(30)28-9-11-33-12-10-28)21(15-3-5-16(6-4-15)23(31)32-2)27-24(34)29(14)17-7-8-19(26)18(25)13-17/h3-8,13,21H,9-12H2,1-2H3,(H,27,34)