N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethylamino]purin-2-yl]amine Formula: C27H38N8O3 MolecularWeight: 522.64242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CNCCNC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CNCCNC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C27H38N8O3/c1-36-21-12-17(13-22-24(21)38-16-37-22)14-29-10-11-30-25-23-26(35(15-31-23)20-4-2-3-5-20)34-27(33-25)32-19-8-6-18(28)7-9-19/h12-13,15,18-20,29H,2-11,14,16,28H2,1H3,(H2,30,32,33,34)