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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)CCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

Isomeric SMILES

CC1CCN(C1)CCC2CCN(CC2)NC3=NC4=C(C(=N3)NC5CCC(CC5)N)N=CN4C6CCCC6

InChI

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