4-methyl-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: 4-methyl-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: 4-methyl-6-methylsulfanyl-N-(4-morpholinophenyl)-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: 4-methyl-6-(methylthio)-N-[4-(4-morpholinyl)phenyl]-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: 4-methyl-6-(methylthio)-N-(4-morpholinophenyl)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H22N4O2S2/c1-14-18(21(28-2)24-19(22-14)17-4-3-13-29-17)20(26)23-15-5-7-16(8-6-15)25-9-11-27-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,23,26)