N2-(4-azanylcyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(homopiperonylamino)purin-2-yl]amine Formula: C25H33N7O2 MolecularWeight: 463.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CC5=C(C=C4)OCO5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCC4=CC5=C(C=C4)OCO5)NC6CCC(CC6)N

InChI

InChI=1S/C25H33N7O2/c26-17-6-8-18(9-7-17)29-25-30-23(22-24(31-25)32(14-28-22)19-3-1-2-4-19)27-12-11-16-5-10-20-21(13-16)34-15-33-20/h5,10,13-14,17-19H,1-4,6-9,11-12,15,26H2,(H2,27,29,30,31)