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

Systemtic Name: N4-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6-pyridin-3-yl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6-(3-pyridyl)pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6-(3-pyridinyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3-pyridyl)pyrimidin-4-yl]-[3-fluoro-4-(4-pyridylthio)phenyl]amine Formula: C20H15FN6S MolecularWeight: 390.436703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1=CC(=CN=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C20H15FN6S/c21-16-10-14(3-4-18(16)28-15-5-8-23-9-6-15)25-19-11-17(26-20(22)27-19)13-2-1-7-24-12-13/h1-12H,(H3,22,25,26,27)