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

Systemtic Name: methyl 2-[3-(3-fluoranyl-4-methyl-phenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[3-(3-fluoro-4-methyl-phenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3-(3-fluoro-4-methylphenyl)-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-fluoro-4-methylphenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3-(3-fluoro-4-methyl-phenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C25H26FN3O4S MolecularWeight: 483.555043

Click to see the large picture

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)N4CCOCC4)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(NC2=S)C3=CC=CC=C3C(=O)OC)C(=O)N4CCOCC4)C)F

InChI

InChI=1S/C25H26FN3O4S/c1-15-8-9-17(14-20(15)26)29-16(2)21(23(30)28-10-12-33-13-11-28)22(27-25(29)34)18-6-4-5-7-19(18)24(31)32-3/h4-9,14,22H,10-13H2,1-3H3,(H,27,34)