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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-4-oxo-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-(6-amino-4-oxo-2-phenacylsulfanyl-1H-pyrimidin-5-yl)-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-4-keto-2-(phenacylthio)-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C20H15F3N4O3S MolecularWeight: 448.41831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O3S/c21-20(22,23)13-8-6-12(7-9-13)17(29)25-15-16(24)26-19(27-18(15)30)31-10-14(28)11-4-2-1-3-5-11/h1-9H,10H2,(H,25,29)(H3,24,26,27,30)