N2-(4-azanylcyclohexyl)-9-cyclopent-2-en-1-yl-N6-[(3-methylphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopent-2-en-1-yl-N6-[(3-methylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopent-2-en-1-yl-N6-(m-tolylmethyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-(1-cyclopent-2-enyl)-N6-[(3-methylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopent-2-en-1-yl-6-N-[(3-methylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopent-2-en-1-yl-6-[(3-methylbenzyl)amino]purin-2-yl]amine Formula: C24H31N7 MolecularWeight: 417.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC(=NC3=C2N=CN3C4CCC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C24H31N7/c1-16-5-4-6-17(13-16)14-26-22-21-23(31(15-27-21)20-7-2-3-8-20)30-24(29-22)28-19-11-9-18(25)10-12-19/h2,4-7,13,15,18-20H,3,8-12,14,25H2,1H3,(H2,26,28,29,30)