1-(4-fluorophenyl)-N-[(4-methylsulfinylphenyl)methyl]-5-pyridin-3-yl-pyrazolo[3,4-f]isoquinolin-3-amine

Systemtic Name: 1-(4-fluorophenyl)-N-[(4-methylsulfinylphenyl)methyl]-5-pyridin-3-yl-pyrazolo[3,4-f]isoquinolin-3-amine Openeye Name: 1-(4-fluorophenyl)-N-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridyl)pyrazolo[3,4-f]isoquinolin-3-amine CAS Name: 1-(4-fluorophenyl)-N-[(4-methylsulfinylphenyl)methyl]-5-(3-pyridinyl)-3-pyrazolo[3,4-f]isoquinolinamine IUPAC Name: 1-(4-fluorophenyl)-N-[(4-methylsulfinylphenyl)methyl]-5-pyridin-3-ylpyrazolo[3,4-f]isoquinolin-3-amine Traditional Name: [1-(4-fluorophenyl)-5-(3-pyridyl)pyrazol[3,4-f]isoquinolin-3-yl]-(4-methylsulfinylbenzyl)amine Formula: C29H22FN5OS MolecularWeight: 507.581283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)CNC2=NN(C3=C4C=CN=CC4=C(C=C32)C5=CN=CC=C5)C6=CC=C(C=C6)F

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)CNC2=NN(C3=C4C=CN=CC4=C(C=C32)C5=CN=CC=C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H22FN5OS/c1-37(36)23-10-4-19(5-11-23)16-33-29-26-15-25(20-3-2-13-31-17-20)27-18-32-14-12-24(27)28(26)35(34-29)22-8-6-21(30)7-9-22/h2-15,17-18H,16H2,1H3,(H,33,34)