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

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(1-oxidopyridin-1-ium-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(1-oxido-4-pyridin-1-iumyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(1-oxidopyridin-1-ium-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(1-oxidopyridin-1-ium-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H16N6O2 MolecularWeight: 396.40144

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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=CC=[N+](C=C5)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C22H16N6O2/c23-21-19-20(15-6-8-18(9-7-15)30-17-4-2-1-3-5-17)26-28(22(19)25-14-24-21)16-10-12-27(29)13-11-16/h1-14H,(H2,23,24,25)