N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-N4-methyl-pyrimidine-2,4,6-triamine

Systemtic Name: N6-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-N4-methyl-pyrimidine-2,4,6-triamine Openeye Name: N6-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-N4-methyl-pyrimidine-2,4,6-triamine CAS Name: N6-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-N4-methylpyrimidine-2,4,6-triamine IUPAC Name: 6-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-4-N-methylpyrimidine-2,4,6-triamine Traditional Name: [2-amino-6-[3-fluoro-4-(4-pyridylthio)anilino]pyrimidin-4-yl]-methyl-amine Formula: C16H15FN6S MolecularWeight: 342.393903

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F)N

Isomeric SMILES

CNC1=NC(=NC(=C1)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F)N

InChI

InChI=1S/C16H15FN6S/c1-19-14-9-15(23-16(18)22-14)21-10-2-3-13(12(17)8-10)24-11-4-6-20-7-5-11/h2-9H,1H3,(H4,18,19,21,22,23)