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

Systemtic Name: 5-(4-phenoxyphenyl)-7-(4-piperidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-phenoxyphenyl)-7-[4-(1-piperidyl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-phenoxyphenyl)-7-[4-(1-piperidinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(4-phenoxyphenyl)-7-(4-piperidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-phenoxyphenyl)-7-(4-piperidinocyclohexyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C29H33N5O MolecularWeight: 467.60522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C29H33N5O/c30-28-27-26(21-9-15-25(16-10-21)35-24-7-3-1-4-8-24)19-34(29(27)32-20-31-28)23-13-11-22(12-14-23)33-17-5-2-6-18-33/h1,3-4,7-10,15-16,19-20,22-23H,2,5-6,11-14,17-18H2,(H2,30,31,32)