N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-methoxyphenyl)methyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[(3-methoxyphenyl)methyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(4-m-anisylpiperidino)amino]purin-2-yl]amine Formula: C29H42N8O MolecularWeight: 518.69678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

COC1=CC=CC(=C1)CC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C29H42N8O/c1-38-25-8-4-5-21(18-25)17-20-13-15-36(16-14-20)35-27-26-28(37(19-31-26)24-6-2-3-7-24)34-29(33-27)32-23-11-9-22(30)10-12-23/h4-5,8,18-20,22-24H,2-3,6-7,9-17,30H2,1H3,(H2,32,33,34,35)