methyl 2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxylate Openeye Name: methyl 2-methylsulfanyl-4-(4-morpholinoanilino)pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(4-morpholinyl)anilino]-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-4-(4-morpholin-4-ylanilino)pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(4-morpholinoanilino)pyrimidine-5-carboxylic acid methyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCOCC3)SC

Isomeric SMILES

COC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)N3CCOCC3)SC

InChI

InChI=1S/C17H20N4O3S/c1-23-16(22)14-11-18-17(25-2)20-15(14)19-12-3-5-13(6-4-12)21-7-9-24-10-8-21/h3-6,11H,7-10H2,1-2H3,(H,18,19,20)