2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-oxidanyl-cyclohexyl]ethanenitrile

Systemtic Name: 2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-oxidanyl-cyclohexyl]ethanenitrile Openeye Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-hydroxy-cyclohexyl]acetonitrile CAS Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-hydroxycyclohexyl]acetonitrile IUPAC Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-hydroxycyclohexyl]acetonitrile Traditional Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-1-hydroxy-cyclohexyl]acetonitrile Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CC#N)O

Isomeric SMILES

C1CC(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)(CC#N)O

InChI

InChI=1S/C26H25N5O2/c27-15-14-26(32)12-10-19(11-13-26)31-16-22(23-24(28)29-17-30-25(23)31)18-6-8-21(9-7-18)33-20-4-2-1-3-5-20/h1-9,16-17,19,32H,10-14H2,(H2,28,29,30)