1-(5-bromanylpyridin-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(5-bromanylpyridin-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(5-bromo-2-pyridyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(5-bromo-2-pyridinyl)-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(5-bromopyridin-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(5-bromo-2-pyridyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H15BrN6O MolecularWeight: 459.2981

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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=NC=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN6O/c23-15-8-11-18(25-12-15)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,(H2,24,26,27)