N2-(4-azanylcyclohexyl)-N6-(1,3-benzodioxol-5-ylmethyl)-9-cyclopentyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(1,3-benzodioxol-5-ylmethyl)-9-cyclopentyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(1,3-benzodioxol-5-ylmethyl)-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-(1,3-benzodioxol-5-ylmethyl)-9-cyclopentylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(1,3-benzodioxol-5-ylmethyl)-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(piperonylamino)purin-2-yl]amine Formula: C24H31N7O2 MolecularWeight: 449.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC5=C(C=C4)OCO5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC5=C(C=C4)OCO5)NC6CCC(CC6)N

InChI

InChI=1S/C24H31N7O2/c25-16-6-8-17(9-7-16)28-24-29-22(26-12-15-5-10-19-20(11-15)33-14-32-19)21-23(30-24)31(13-27-21)18-3-1-2-4-18/h5,10-11,13,16-18H,1-4,6-9,12,14,25H2,(H2,26,28,29,30)