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

Systemtic Name: N8-(1,3-benzodioxol-5-yl)-N6-(3-imidazol-1-ylpropyl)-9-[(4-methylphenyl)methyl]purine-6,8-diamine Openeye Name: N8-(1,3-benzodioxol-5-yl)-N6-(3-imidazol-1-ylpropyl)-9-(p-tolylmethyl)purine-6,8-diamine CAS Name: N8-(1,3-benzodioxol-5-yl)-N6-[3-(1-imidazolyl)propyl]-9-[(4-methylphenyl)methyl]purine-6,8-diamine IUPAC Name: 8-N-(1,3-benzodioxol-5-yl)-6-N-(3-imidazol-1-ylpropyl)-9-[(4-methylphenyl)methyl]purine-6,8-diamine Traditional Name: 1,3-benzodioxol-5-yl-[6-(3-imidazol-1-ylpropylamino)-9-(4-methylbenzyl)purin-8-yl]amine Formula: C26H26N8O2 MolecularWeight: 482.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCCCN4C=CN=C4)N=C2NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCCCN4C=CN=C4)N=C2NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H26N8O2/c1-18-3-5-19(6-4-18)14-34-25-23(24(29-15-30-25)28-9-2-11-33-12-10-27-16-33)32-26(34)31-20-7-8-21-22(13-20)36-17-35-21/h3-8,10,12-13,15-16H,2,9,11,14,17H2,1H3,(H,31,32)(H,28,29,30)