N4-(4-fluorophenyl)-N6-(oxolan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-fluorophenyl)-N6-(oxolan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-fluorophenyl)-N6-(tetrahydrofuran-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-fluorophenyl)-N6-(2-oxolanylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-fluorophenyl)-6-N-(oxolan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: [4-(4-fluoroanilino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(tetrahydrofurfuryl)amine Formula: C16H17FN6O MolecularWeight: 328.344183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC1)CNC2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C16H17FN6O/c17-10-3-5-11(6-4-10)20-14-13-9-19-23-15(13)22-16(21-14)18-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H3,18,19,20,21,22,23)