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

Systemtic Name: methyl 2-[3-(2,5-dimethylphenyl)-4-methyl-5-morpholin-4-ylcarbonyl-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[3-(2,5-dimethylphenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3-(2,5-dimethylphenyl)-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(2,5-dimethylphenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3-(2,5-dimethylphenyl)-4-methyl-5-(morpholine-4-carbonyl)-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-16-9-10-17(2)21(15-16)29-18(3)22(24(30)28-11-13-33-14-12-28)23(27-26(29)34)19-7-5-6-8-20(19)25(31)32-4/h5-10,15,23H,11-14H2,1-4H3,(H,27,34)