(4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-azanyl-2-methylsulfanyl-pyrimidin-5-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone Openeye Name: (4-amino-2-methylsulfanyl-pyrimidin-5-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone CAS Name: [4-amino-2-(methylthio)-5-pyrimidinyl]-[2-methoxy-4-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-amino-2-methylsulfanylpyrimidin-5-yl)-[2-methoxy-4-(trifluoromethyl)phenyl]methanone Traditional Name: [4-amino-2-(methylthio)pyrimidin-5-yl]-[2-methoxy-4-(trifluoromethyl)phenyl]methanone Formula: C14H12F3N3O2S MolecularWeight: 343.32419

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=CN=C(N=C2N)SC

Isomeric SMILES

COC1=C(C=CC(=C1)C(F)(F)F)C(=O)C2=CN=C(N=C2N)SC

InChI

InChI=1S/C14H12F3N3O2S/c1-22-10-5-7(14(15,16)17)3-4-8(10)11(21)9-6-19-13(23-2)20-12(9)18/h3-6H,1-2H3,(H2,18,19,20)