1-(6-azanylpyridin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(6-azanylpyridin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(6-amino-3-pyridyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(6-amino-3-pyridinyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(6-aminopyridin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [5-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridyl]amine Formula: C22H17N7O MolecularWeight: 395.41668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N7O/c23-18-11-8-15(12-25-18)29-22-19(21(24)26-13-27-22)20(28-29)14-6-9-17(10-7-14)30-16-4-2-1-3-5-16/h1-13H,(H2,23,25)(H2,24,26,27)