5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine Openeye Name: 5-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine CAS Name: 5-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine IUPAC Name: 5-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-fluoro-4-(4-pyridylthio)phenyl]-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C16H11F4N5S MolecularWeight: 381.350653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)C(F)(F)F)F)SC3=CC=NC=C3

Isomeric SMILES

C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)C(F)(F)F)F)SC3=CC=NC=C3

InChI

InChI=1S/C16H11F4N5S/c17-10-7-8(1-2-11(10)26-9-3-5-23-6-4-9)12-13(16(18,19)20)24-15(22)25-14(12)21/h1-7H,(H4,21,22,24,25)