7-[(1R,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride

Systemtic Name: 7-[(1R,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride Openeye Name: 7-[(1R,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride CAS Name: 7-[(1R,3R)-3-(4-methyl-1-piperazinyl)cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine trihydrochloride IUPAC Name: 7-[(1R,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride Traditional Name: [7-[(1R,3R)-3-(4-methylpiperazino)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine trihydrochloride Formula: C29H37Cl3N6O MolecularWeight: 592.00268

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCCC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6.Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)[C@@H]2CCC[C@H](C2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6.Cl.Cl.Cl

InChI

InChI=1S/C29H34N6O.3ClH/c1-33-14-16-34(17-15-33)22-6-5-7-23(18-22)35-19-26(27-28(30)31-20-32-29(27)35)21-10-12-25(13-11-21)36-24-8-3-2-4-9-24;;;/h2-4,8-13,19-20,22-23H,5-7,14-18H2,1H3,(H2,30,31,32);3*1H/t22-,23-;;;/m1.../s1