5-(3-phenylmethoxyphenyl)-7-(4-piperidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3-phenylmethoxyphenyl)-7-(4-piperidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-[4-(1-piperidyl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-phenylmethoxyphenyl)-7-[4-(1-piperidinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-phenylmethoxyphenyl)-7-(4-piperidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-benzoxyphenyl)-7-(4-piperidinocyclohexyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C30H35N5O MolecularWeight: 481.6318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C30H35N5O/c31-29-28-27(23-10-7-11-26(18-23)36-20-22-8-3-1-4-9-22)19-35(30(28)33-21-32-29)25-14-12-24(13-15-25)34-16-5-2-6-17-34/h1,3-4,7-11,18-19,21,24-25H,2,5-6,12-17,20H2,(H2,31,32,33)