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

Systemtic Name: 4-(4-azanyl-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzenecarbonitrile Openeye Name: 4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzonitrile CAS Name: 4-(4-amino-1-tert-butyl-3-pyrazolo[3,4-d]pyrimidinyl)benzonitrile IUPAC Name: 4-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)benzonitrile Traditional Name: 4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-3-yl)benzonitrile Formula: C16H16N6 MolecularWeight: 292.33844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6/c1-16(2,3)22-15-12(14(18)19-9-20-15)13(21-22)11-6-4-10(8-17)5-7-11/h4-7,9H,1-3H3,(H2,18,19,20)