N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-phenylphenyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-phenylphenyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-phenylphenyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-phenylphenyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-phenylphenyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-phenylanilino)purin-2-yl]amine dihydrochloride Formula: C28H35Cl2N7 MolecularWeight: 540.5304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C5=CC=CC=C5)NC6CCC(CC6)N.Cl.Cl

InChI

InChI=1S/C28H33N7.2ClH/c29-21-12-16-23(17-13-21)32-28-33-26(25-27(34-28)35(18-30-25)24-8-4-5-9-24)31-22-14-10-20(11-15-22)19-6-2-1-3-7-19;;/h1-3,6-7,10-11,14-15,18,21,23-24H,4-5,8-9,12-13,16-17,29H2,(H2,31,32,33,34);2*1H