2-(5-azanyl-4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile

Systemtic Name: 2-(5-azanyl-4-azanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile Openeye Name: 2-(5-amino-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-(5-amino-4-imino-1-phenyl-3-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(5-amino-4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-(5-amino-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Formula: C13H11N7 MolecularWeight: 265.27334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N7/c14-7-6-10-11-12(15)19(16)8-17-13(11)20(18-10)9-4-2-1-3-5-9/h1-5,8,15H,6,16H2