2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidin-4-yl]amine Formula: C12H11F3N4S MolecularWeight: 300.30275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4S/c13-12(14,15)8-3-1-2-7(4-8)6-20-11-18-9(16)5-10(17)19-11/h1-5H,6H2,(H4,16,17,18,19)