N4-(3-fluoranyl-4-isoquinolin-5-yloxy-phenyl)-6-pyridin-3-yl-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-fluoranyl-4-isoquinolin-5-yloxy-phenyl)-6-pyridin-3-yl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(5-isoquinolyloxy)phenyl]-6-(3-pyridyl)pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(5-isoquinolinyloxy)phenyl]-6-(3-pyridinyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-pyridin-3-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3-pyridyl)pyrimidin-4-yl]-[3-fluoro-4-(5-isoquinolyloxy)phenyl]amine Formula: C24H17FN6O MolecularWeight: 424.429783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)OC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CN=CC=C5)N)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)OC3=C(C=C(C=C3)NC4=NC(=NC(=C4)C5=CN=CC=C5)N)F

InChI

InChI=1S/C24H17FN6O/c25-19-11-17(29-23-12-20(30-24(26)31-23)16-4-2-9-27-14-16)6-7-22(19)32-21-5-1-3-15-13-28-10-8-18(15)21/h1-14H,(H3,26,29,30,31)