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

Systemtic Name: 2-(4-azanylidene-5-butyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethanenitrile Openeye Name: 2-(5-butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-(5-butyl-4-imino-1-phenyl-3-pyrazolo[3,4-d]pyrimidinyl)acetonitrile IUPAC Name: 2-(5-butyl-4-imino-1-phenylpyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-(5-butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile Formula: C17H18N6 MolecularWeight: 306.36502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N

Isomeric SMILES

CCCCN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H18N6/c1-2-3-11-22-12-20-17-15(16(22)19)14(9-10-18)21-23(17)13-7-5-4-6-8-13/h4-8,12,19H,2-3,9,11H2,1H3