N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-pentan-2-yl-N6-phenyl-purine-2,6-diamine hydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-pentan-2-yl-N6-phenyl-purine-2,6-diamine hydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(1-methylbutyl)-N6-phenyl-purine-2,6-diamine hydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-pentan-2-yl-N6-phenylpurine-2,6-diamine hydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-pentan-2-yl-6-N-phenylpurine-2,6-diamine hydrochloride Traditional Name: [2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-(1-methylbutyl)-phenyl-amine hydrochloride Formula: C27H40ClN7 MolecularWeight: 498.1064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C1=CC=CC=C1)C2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl

Isomeric SMILES

CCCC(C)N(C1=CC=CC=C1)C2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl

InChI

InChI=1S/C27H39N7.ClH/c1-3-9-19(2)34(23-12-5-4-6-13-23)26-24-25(33(18-29-24)22-10-7-8-11-22)31-27(32-26)30-21-16-14-20(28)15-17-21;/h4-6,12-13,18-22H,3,7-11,14-17,28H2,1-2H3,(H,30,31,32);1H