N-[6-azanyl-4-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]furan-2-carboxamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]furan-2-carboxamide Openeye Name: N-[6-amino-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]furan-2-carboxamide CAS Name: N-[6-amino-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]-2-furancarboxamide IUPAC Name: N-[6-amino-4-oxo-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]furan-2-carboxamide Traditional Name: N-[6-amino-4-keto-2-[[4-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]-2-furamide Formula: C17H13F3N4O3S MolecularWeight: 410.37033

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C(F)(F)F)N

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=C(C=C3)C(F)(F)F)N

InChI

InChI=1S/C17H13F3N4O3S/c18-17(19,20)10-5-3-9(4-6-10)8-28-16-23-13(21)12(15(26)24-16)22-14(25)11-2-1-7-27-11/h1-7H,8H2,(H,22,25)(H3,21,23,24,26)