3-[(4-azanyl-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-azanyl-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 3-[(4-amino-1-tert-butyl-3-pyrazolo[3,4-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C17H18N6 MolecularWeight: 306.36502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC(=C3)C#N)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)CC3=CC=CC(=C3)C#N)C(=NC=N2)N

InChI

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