5-(3-phenylmethoxyphenyl)-7-[4-(pyrimidin-2-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3-phenylmethoxyphenyl)-7-[4-(pyrimidin-2-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-[4-(pyrimidin-2-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-phenylmethoxyphenyl)-7-[4-(2-pyrimidinylamino)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-phenylmethoxyphenyl)-7-[4-(pyrimidin-2-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-(2-pyrimidyl)amine Formula: C29H29N7O MolecularWeight: 491.58686

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=NC=CC=N2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1NC2=NC=CC=N2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C29H29N7O/c30-27-26-25(21-8-4-9-24(16-21)37-18-20-6-2-1-3-7-20)17-36(28(26)34-19-33-27)23-12-10-22(11-13-23)35-29-31-14-5-15-32-29/h1-9,14-17,19,22-23H,10-13,18H2,(H2,30,33,34)(H,31,32,35)