N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[4-(dibutylamino)butyl]piperidin-4-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[4-(dibutylamino)butyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[4-(dibutylamino)butyl]-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[4-(dibutylamino)butyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[4-(dibutylamino)butyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]butyl-dibutyl-amine Formula: C33H59N9 MolecularWeight: 581.88186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCCN(CCCC)CCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C33H59N9/c1-3-5-19-40(20-6-4-2)21-9-10-22-41-23-17-28(18-24-41)36-31-30-32(42(25-35-30)29-11-7-8-12-29)39-33(38-31)37-27-15-13-26(34)14-16-27/h25-29H,3-24,34H2,1-2H3,(H2,36,37,38,39)