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

Systemtic Name: 1-(6-nitropyridin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(6-nitro-3-pyridyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(6-nitro-3-pyridinyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(6-nitropyridin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(6-nitro-3-pyridyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H15N7O3 MolecularWeight: 425.3996

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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+](=O)[O-]

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+](=O)[O-]

InChI

InChI=1S/C22H15N7O3/c23-21-19-20(14-6-9-17(10-7-14)32-16-4-2-1-3-5-16)27-28(22(19)26-13-25-21)15-8-11-18(24-12-15)29(30)31/h1-13H,(H2,23,25,26)