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

Systemtic Name: 5-(4-phenoxyphenyl)-7-[4-(pyrrolidin-3-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-phenoxyphenyl)-7-[4-(pyrrolidin-3-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-phenoxyphenyl)-7-[4-(3-pyrrolidinylamino)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(4-phenoxyphenyl)-7-[4-(pyrrolidin-3-ylamino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-pyrrolidin-3-yl-amine Formula: C28H32N6O MolecularWeight: 468.59328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2CCNC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1NC2CCNC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H32N6O/c29-27-26-25(19-6-12-24(13-7-19)35-23-4-2-1-3-5-23)17-34(28(26)32-18-31-27)22-10-8-20(9-11-22)33-21-14-15-30-16-21/h1-7,12-13,17-18,20-22,30,33H,8-11,14-16H2,(H2,29,31,32)