N8-(1,3-benzodioxol-5-yl)-N6-cyclohexyl-9-[(4-methylphenyl)methyl]purine-6,8-diamine

Systemtic Name: N8-(1,3-benzodioxol-5-yl)-N6-cyclohexyl-9-[(4-methylphenyl)methyl]purine-6,8-diamine Openeye Name: N8-(1,3-benzodioxol-5-yl)-N6-cyclohexyl-9-(p-tolylmethyl)purine-6,8-diamine CAS Name: N8-(1,3-benzodioxol-5-yl)-N6-cyclohexyl-9-[(4-methylphenyl)methyl]purine-6,8-diamine IUPAC Name: 8-N-(1,3-benzodioxol-5-yl)-6-N-cyclohexyl-9-[(4-methylphenyl)methyl]purine-6,8-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(cyclohexylamino)-9-(4-methylbenzyl)purin-8-yl]amine Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4CCCCC4)N=C2NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NC4CCCCC4)N=C2NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H28N6O2/c1-17-7-9-18(10-8-17)14-32-25-23(24(27-15-28-25)29-19-5-3-2-4-6-19)31-26(32)30-20-11-12-21-22(13-20)34-16-33-21/h7-13,15,19H,2-6,14,16H2,1H3,(H,30,31)(H,27,28,29)