2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile

Systemtic Name: 2-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile Openeye Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-(4-amino-1-phenyl-3-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Formula: C13H10N6 MolecularWeight: 250.2587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C(=N2)CC#N)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C(=N2)CC#N)C(=NC=N3)N

InChI

InChI=1S/C13H10N6/c14-7-6-10-11-12(15)16-8-17-13(11)19(18-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H2,15,16,17)