2-[4-azanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]ethanenitrile

Systemtic Name: 2-[4-azanyl-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]ethanenitrile Openeye Name: 2-[4-amino-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]acetonitrile CAS Name: 2-[4-amino-1-(4-chlorophenyl)-6-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[4-amino-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]acetonitrile Traditional Name: 2-[4-amino-1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]acetonitrile Formula: C13H9ClN6 MolecularWeight: 284.70376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC(=N3)CC#N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC(=N3)CC#N)N)Cl

InChI

InChI=1S/C13H9ClN6/c14-8-1-3-9(4-2-8)20-13-10(7-17-20)12(16)18-11(19-13)5-6-15/h1-4,7H,5H2,(H2,16,18,19)