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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-pentylphenyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-pentylphenyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-pentylphenyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-pentylphenyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(4-amylanilino)-9-cyclopentyl-purin-2-yl]amine Formula: C27H39N7 MolecularWeight: 461.64546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H39N7/c1-2-3-4-7-19-10-14-21(15-11-19)30-25-24-26(34(18-29-24)23-8-5-6-9-23)33-27(32-25)31-22-16-12-20(28)13-17-22/h10-11,14-15,18,20,22-23H,2-9,12-13,16-17,28H2,1H3,(H2,30,31,32,33)