2-methylsulfanyl-4-(phenylmethylsulfanyl)-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-(phenylmethylsulfanyl)-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-2-methylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-(phenylmethylthio)-6-[[4-(trifluoromethyl)phenyl]methylamino]-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-2-methylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-2-(methylthio)-6-[[4-(trifluoromethyl)benzyl]amino]pyrimidine-5-carboxamide Formula: C21H19F3N4OS2 MolecularWeight: 464.52697

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)N)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N4OS2/c1-30-20-27-18(26-11-13-7-9-15(10-8-13)21(22,23)24)16(17(25)29)19(28-20)31-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,25,29)(H,26,27,28)