2-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-oxidanyl-cyclohexyl]ethanenitrile

Systemtic Name: 2-[4-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-oxidanyl-cyclohexyl]ethanenitrile Openeye Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-hydroxy-cyclohexyl]acetonitrile CAS Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-hydroxycyclohexyl]acetonitrile IUPAC Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-hydroxycyclohexyl]acetonitrile Traditional Name: 2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-hydroxy-cyclohexyl]acetonitrile Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)(CC#N)O

Isomeric SMILES

C1CC(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)(CC#N)O

InChI

InChI=1S/C25H24N6O2/c26-15-14-25(32)12-10-18(11-13-25)31-24-21(23(27)28-16-29-24)22(30-31)17-6-8-20(9-7-17)33-19-4-2-1-3-5-19/h1-9,16,18,32H,10-14H2,(H2,27,28,29)