2-[[3-(4-azanyl-5-pyridin-4-yl-pyrimidin-2-yl)pyrazolo[3,4-b]pyridin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(4-azanyl-5-pyridin-4-yl-pyrimidin-2-yl)pyrazolo[3,4-b]pyridin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[4-amino-5-(4-pyridyl)pyrimidin-2-yl]pyrazolo[3,4-b]pyridin-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(4-amino-5-pyridin-4-yl-2-pyrimidinyl)-1-pyrazolo[3,4-b]pyridinyl]methyl]benzonitrile IUPAC Name: 2-[[3-(4-amino-5-pyridin-4-ylpyrimidin-2-yl)pyrazolo[3,4-b]pyridin-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[4-amino-5-(4-pyridyl)pyrimidin-2-yl]pyrazolo[3,4-b]pyridin-1-yl]methyl]benzonitrile Formula: C23H16N8 MolecularWeight: 404.42674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)C5=CC=NC=C5)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C4=NC=C(C(=N4)N)C5=CC=NC=C5)C#N

InChI

InChI=1S/C23H16N8/c24-12-16-4-1-2-5-17(16)14-31-23-18(6-3-9-27-23)20(30-31)22-28-13-19(21(25)29-22)15-7-10-26-11-8-15/h1-11,13H,14H2,(H2,25,28,29)