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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[2-(3-methylpyrrolidin-1-yl)ethyl]-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-[2-(3-methyl-1-pyrrolidinyl)ethyl]-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-[2-(3-methylpyrrolidino)ethyl]piperidino]amino]purin-2-yl]amine Formula: C28H47N9 MolecularWeight: 509.73308

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

Isomeric SMILES

CC1CCN(C1)CCC2CCN(CC2)NC3=NC(=NC4=C3N=CN4C5CCCC5)NC6CCC(CC6)N

InChI

InChI=1S/C28H47N9/c1-20-10-14-35(18-20)15-11-21-12-16-36(17-13-21)34-26-25-27(37(19-30-25)24-4-2-3-5-24)33-28(32-26)31-23-8-6-22(29)7-9-23/h19-24H,2-18,29H2,1H3,(H2,31,32,33,34)