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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C20H17F3N4O2S MolecularWeight: 434.43479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O2S/c1-11(12-5-3-2-4-6-12)30-19-26-16(24)15(18(29)27-19)25-17(28)13-7-9-14(10-8-13)20(21,22)23/h2-11H,1H3,(H,25,28)(H3,24,26,27,29)