5-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile

Systemtic Name: 5-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile Openeye Name: 5-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-morpholino-benzonitrile CAS Name: 5-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]-2-(4-morpholinyl)benzonitrile IUPAC Name: 5-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-morpholin-4-ylbenzonitrile Traditional Name: 5-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2-morpholino-benzonitrile Formula: C24H23N7O MolecularWeight: 425.48572

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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)N5CCOCC5)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC(=C(C=C4)N5CCOCC5)C#N)C

InChI

InChI=1S/C24H23N7O/c1-16-3-5-21(17(2)11-16)31-24-20(14-28-31)23(26-15-27-24)29-19-4-6-22(18(12-19)13-25)30-7-9-32-10-8-30/h3-6,11-12,14-15H,7-10H2,1-2H3,(H,26,27,29)