N4-[2,5-bis(fluoranyl)-4-pyridin-4-ylsulfanyl-phenyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[2,5-bis(fluoranyl)-4-pyridin-4-ylsulfanyl-phenyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: N4-[2,5-difluoro-4-(4-pyridylsulfanyl)phenyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[2,5-difluoro-4-(pyridin-4-ylthio)phenyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-(2,5-difluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[2,5-difluoro-4-(4-pyridylthio)phenyl]amine Formula: C16H13F2N5S MolecularWeight: 345.369726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2F)SC3=CC=NC=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2F)SC3=CC=NC=C3)F

InChI

InChI=1S/C16H13F2N5S/c1-9-6-15(23-16(19)21-9)22-13-7-12(18)14(8-11(13)17)24-10-2-4-20-5-3-10/h2-8H,1H3,(H3,19,21,22,23)