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

Systemtic Name: 2-chloranyl-4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile CAS Name: 2-chloro-4-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzonitrile Formula: C20H15ClN6 MolecularWeight: 374.8263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN6/c1-12-3-6-18(13(2)7-12)27-20-16(10-25-27)19(23-11-24-20)26-15-5-4-14(9-22)17(21)8-15/h3-8,10-11H,1-2H3,(H,23,24,26)