3-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 3-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 3-[[1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 3-[[1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C19H13ClN6 MolecularWeight: 360.79972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H13ClN6/c1-12-5-6-14(20)8-17(12)26-19-16(10-24-26)18(22-11-23-19)25-15-4-2-3-13(7-15)9-21/h2-8,10-11H,1H3,(H,22,23,25)