6-[2-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate

Systemtic Name: 6-[2-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate Openeye Name: 6-[2-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[2-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]hexyl ester IUPAC Name: 6-[2-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[2-(4,6-dipyrrolidino-s-triazin-2-yl)piperazino]hexyl ester Formula: C22H39N7O3S MolecularWeight: 481.65516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCN1CCNCC1C2=NC(=NC(=N2)N3CCCC3)N4CCCC4

Isomeric SMILES

CS(=O)(=O)OCCCCCCN1CCNCC1C2=NC(=NC(=N2)N3CCCC3)N4CCCC4

InChI

InChI=1S/C22H39N7O3S/c1-33(30,31)32-17-9-3-2-4-11-27-16-10-23-18-19(27)20-24-21(28-12-5-6-13-28)26-22(25-20)29-14-7-8-15-29/h19,23H,2-18H2,1H3