7-[4-(azetidin-1-yl)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[4-(azetidin-1-yl)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-(azetidin-1-yl)cyclohexyl]-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-(1-azetidinyl)cyclohexyl]-5-(3-phenylmethoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(azetidin-1-yl)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[4-(azetidin-1-yl)cyclohexyl]-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C28H31N5O/c29-27-26-25(21-8-4-9-24(16-21)34-18-20-6-2-1-3-7-20)17-33(28(26)31-19-30-27)23-12-10-22(11-13-23)32-14-5-15-32/h1-4,6-9,16-17,19,22-23H,5,10-15,18H2,(H2,29,30,31)