N-(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide

Systemtic Name: N-(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C13H11F3N4O2S MolecularWeight: 344.31225

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H11F3N4O2S/c1-23-12-19-9(17)8(11(22)20-12)18-10(21)6-2-4-7(5-3-6)13(14,15)16/h2-5H,1H3,(H,18,21)(H3,17,19,20,22)