N2-(4-azanylcyclohexyl)-N6-[4-(phenylmethyl)piperidin-1-yl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[4-(phenylmethyl)piperidin-1-yl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-benzyl-1-piperidyl)-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[4-(phenylmethyl)-1-piperidinyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-benzylpiperidin-1-yl)-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-benzylpiperidino)amino]-9-isopropyl-purin-2-yl]amine Formula: C26H38N8 MolecularWeight: 462.63352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NN3CCC(CC3)CC4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NN3CCC(CC3)CC4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C26H38N8/c1-18(2)34-17-28-23-24(30-26(31-25(23)34)29-22-10-8-21(27)9-11-22)32-33-14-12-20(13-15-33)16-19-6-4-3-5-7-19/h3-7,17-18,20-22H,8-16,27H2,1-2H3,(H2,29,30,31,32)