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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C#N)C2=NC3=CC=CC=C3C(=N2)NC4=C5C=CC=NC5=NN4

Isomeric SMILES

CN(C1=CC=C(C=C1)C#N)C2=NC3=CC=CC=C3C(=N2)NC4=C5C=CC=NC5=NN4

InChI

InChI=1S/C22H16N8/c1-30(15-10-8-14(13-23)9-11-15)22-25-18-7-3-2-5-16(18)20(27-22)26-21-17-6-4-12-24-19(17)28-29-21/h2-12H,1H3,(H2,24,25,26,27,28,29)