N8-(4-azanylcyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-6,8-diamine

Systemtic Name: N8-(4-azanylcyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-6,8-diamine Openeye Name: N8-(4-aminocyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentyl-purine-6,8-diamine CAS Name: N8-(4-aminocyclohexyl)-N6-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentylpurine-6,8-diamine IUPAC Name: 8-N-(4-aminocyclohexyl)-6-N-[2-(1,3-benzodioxol-5-yl)ethyl]-9-cyclopentylpurine-6,8-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(homopiperonylamino)purin-8-yl]amine Formula: C25H33N7O2 MolecularWeight: 463.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NCCC4=CC5=C(C=C4)OCO5)N=C2NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCC4=CC5=C(C=C4)OCO5)N=C2NC6CCC(CC6)N

InChI

InChI=1S/C25H33N7O2/c26-17-6-8-18(9-7-17)30-25-31-22-23(28-14-29-24(22)32(25)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,(H,30,31)(H,27,28,29)