3-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)benzenecarbonitrile Openeye Name: 3-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)benzonitrile CAS Name: 3-(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)benzonitrile IUPAC Name: 3-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)benzonitrile Traditional Name: 3-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)benzonitrile Formula: C18H12N6 MolecularWeight: 312.32808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C18H12N6/c19-10-12-5-4-6-13(9-12)17-22-16(20)15-11-21-24(18(15)23-17)14-7-2-1-3-8-14/h1-9,11H,(H2,20,22,23)