N-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-2-piperidin-1-yl-ethanamide

Systemtic Name: N-[4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-2-piperidin-1-yl-ethanamide Openeye Name: N-[4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-2-(1-piperidyl)acetamide CAS Name: N-[4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]-2-(1-piperidinyl)acetamide IUPAC Name: N-[4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-2-piperidin-1-ylacetamide Traditional Name: N-[4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-2-piperidino-acetamide Formula: C32H38N6O2 MolecularWeight: 538.68312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(=O)NC2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CC(=O)NC2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C32H38N6O2/c33-31-30-28(24-10-7-11-27(18-24)40-21-23-8-3-1-4-9-23)19-38(32(30)35-22-34-31)26-14-12-25(13-15-26)36-29(39)20-37-16-5-2-6-17-37/h1,3-4,7-11,18-19,22,25-26H,2,5-6,12-17,20-21H2,(H,36,39)(H2,33,34,35)