3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile Formula: C13H10N6 MolecularWeight: 250.2587

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C13H10N6/c1-19-13-11(7-17-19)12(15-8-16-13)18-10-4-2-3-9(5-10)6-14/h2-5,7-8H,1H3,(H,15,16,18)