7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride

Systemtic Name: 7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Openeye Name: 7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride CAS Name: 7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine dihydrochloride IUPAC Name: 7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine dihydrochloride Traditional Name: [7-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine dihydrochloride Formula: C30H38Cl2N6O MolecularWeight: 569.56832

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6.Cl.Cl

Isomeric SMILES

CN1CCCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC=C6.Cl.Cl

InChI

InChI=1S/C30H36N6O.2ClH/c1-34-16-5-17-35(19-18-34)23-10-12-24(13-11-23)36-20-27(28-29(31)32-21-33-30(28)36)22-8-14-26(15-9-22)37-25-6-3-2-4-7-25;;/h2-4,6-9,14-15,20-21,23-24H,5,10-13,16-19H2,1H3,(H2,31,32,33);2*1H