3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[1-(3-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C18H11ClN6 MolecularWeight: 346.77314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl)C#N

InChI

InChI=1S/C18H11ClN6/c19-13-4-2-6-15(8-13)25-18-16(10-23-25)17(21-11-22-18)24-14-5-1-3-12(7-14)9-20/h1-8,10-11H,(H,21,22,24)