N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromanyl-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromanyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromo-benzamide CAS Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylthio]-1H-pyrimidin-5-yl]-4-bromobenzamide IUPAC Name: N-[6-amino-4-oxo-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-pyrimidin-5-yl]-4-bromobenzamide Traditional Name: N-[6-amino-4-keto-2-[[3-(trifluoromethyl)benzyl]thio]-1H-pyrimidin-5-yl]-4-bromo-benzamide Formula: C19H14BrF3N4O2S MolecularWeight: 499.30427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrF3N4O2S/c20-13-6-4-11(5-7-13)16(28)25-14-15(24)26-18(27-17(14)29)30-9-10-2-1-3-12(8-10)19(21,22)23/h1-8H,9H2,(H,25,28)(H3,24,26,27,29)