4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)quinazolin-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)quinazolin-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)quinazolin-2-yl]amino]methyl]benzonitrile CAS Name: 4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-quinazolinyl]amino]methyl]benzonitrile IUPAC Name: 4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)quinazolin-2-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)quinazolin-2-yl]amino]methyl]benzonitrile Formula: C22H16N8 MolecularWeight: 392.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)NCC3=CC=C(C=C3)C#N)NC4=C5C=CC=NC5=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)NCC3=CC=C(C=C3)C#N)NC4=C5C=CC=NC5=NN4

InChI

InChI=1S/C22H16N8/c23-12-14-7-9-15(10-8-14)13-25-22-26-18-6-2-1-4-16(18)20(28-22)27-21-17-5-3-11-24-19(17)29-30-21/h1-11H,13H2,(H3,24,25,26,27,28,29,30)