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

Systemtic Name: N-[6-azanyl-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[6-amino-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[6-amino-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidin-5-yl]-4-(trifluoromethyl)benzamide Formula: C14H13F3N4O3S MolecularWeight: 374.33823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCCO)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(NC(=NC2=O)SCCO)N)C(F)(F)F

InChI

InChI=1S/C14H13F3N4O3S/c15-14(16,17)8-3-1-7(2-4-8)11(23)19-9-10(18)20-13(21-12(9)24)25-6-5-22/h1-4,22H,5-6H2,(H,19,23)(H3,18,20,21,24)