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

Systemtic Name: methyl 2-[4-methyl-3-(3-methylphenyl)-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[4-methyl-5-(morpholine-4-carbonyl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[4-methyl-3-(3-methylphenyl)-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-methyl-3-(3-methylphenyl)-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[4-methyl-5-(morpholine-4-carbonyl)-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-16-7-6-8-18(15-16)28-17(2)21(23(29)27-11-13-32-14-12-27)22(26-25(28)33)19-9-4-5-10-20(19)24(30)31-3/h4-10,15,22H,11-14H2,1-3H3,(H,26,33)