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

Systemtic Name: methyl 2-[5-(dimethylcarbamoyl)-3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[5-(dimethylcarbamoyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[5-[dimethylamino(oxo)methyl]-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-(dimethylcarbamoyl)-3-(3-fluoro-4-methylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[5-(dimethylcarbamoyl)-3-(3-fluoro-4-methyl-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C23H24FN3O3S MolecularWeight: 441.518363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3C(=O)OC)C(=O)N(C)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3C(=O)OC)C(=O)N(C)C)C)F

InChI

InChI=1S/C23H24FN3O3S/c1-13-10-11-15(12-18(13)24)27-14(2)19(21(28)26(3)4)20(25-23(27)31)16-8-6-7-9-17(16)22(29)30-5/h6-12,20H,1-5H3,(H,25,31)