2-methoxyethyl 3-(2-methoxy-5-methyl-phenyl)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 3-(2-methoxy-5-methyl-phenyl)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 3-(2-methoxy-5-methyl-phenyl)-4-methyl-6-(4-morpholinophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2-methoxy-5-methylphenyl)-4-methyl-6-[4-(4-morpholinyl)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-(2-methoxy-5-methylphenyl)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-4-methyl-6-(4-morpholinophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5S/c1-18-5-10-23(33-4)22(17-18)30-19(2)24(26(31)35-16-15-32-3)25(28-27(30)36)20-6-8-21(9-7-20)29-11-13-34-14-12-29/h5-10,17,25H,11-16H2,1-4H3,(H,28,36)