3-(4-phenoxyphenyl)-1-pyridin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-phenoxyphenyl)-1-pyridin-4-yl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-phenoxyphenyl)-1-(4-pyridyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-phenoxyphenyl)-1-pyridin-4-yl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-phenoxyphenyl)-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-phenoxyphenyl)-1-(4-pyridyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H16N6O MolecularWeight: 380.40204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5=CC=NC=C5

InChI

InChI=1S/C22H16N6O/c23-21-19-20(15-6-8-18(9-7-15)29-17-4-2-1-3-5-17)27-28(22(19)26-14-25-21)16-10-12-24-13-11-16/h1-14H,(H2,23,25,26)