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

Systemtic Name: N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-methyl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C16H14FN5S MolecularWeight: 327.379263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)SC3=CC=NC=C3)F

InChI

InChI=1S/C16H14FN5S/c1-10-8-15(22-16(18)20-10)21-11-2-3-14(13(17)9-11)23-12-4-6-19-7-5-12/h2-9H,1H3,(H3,18,20,21,22)