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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[1-[4-(dipropylamino)butyl]piperidin-4-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[4-(dipropylamino)butyl]-4-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[1-[4-(dipropylamino)butyl]-4-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[4-(dipropylamino)butyl]piperidin-4-yl]purine-2,6-diamine Traditional Name: 4-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]butyl-dipropyl-amine Formula: C31H55N9 MolecularWeight: 553.8287

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCCN(CCC)CCCCN1CCC(CC1)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C31H55N9/c1-3-17-38(18-4-2)19-7-8-20-39-21-15-26(16-22-39)34-29-28-30(40(23-33-28)27-9-5-6-10-27)37-31(36-29)35-25-13-11-24(32)12-14-25/h23-27H,3-22,32H2,1-2H3,(H2,34,35,36,37)