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

Systemtic Name: 5-(4-phenoxyphenyl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-phenoxyphenyl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-phenoxyphenyl)-7-[4-(1-pyrrolidinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(4-phenoxyphenyl)-7-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-phenoxyphenyl)-7-(4-pyrrolidinocyclohexyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

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