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

Systemtic Name: 1-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate Openeye Name: 1-[2-[4,6-bis(2-pyridyl)-1,3,5-triazin-2-yl]piperazin-1-yl]hexyl methanesulfonate CAS Name: methanesulfonic acid 1-[2-[4,6-bis(2-pyridinyl)-1,3,5-triazin-2-yl]-1-piperazinyl]hexyl ester IUPAC Name: 1-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)piperazin-1-yl]hexyl methanesulfonate Traditional Name: methanesulfonic acid 1-[2-[4,6-bis(2-pyridyl)-s-triazin-2-yl]piperazino]hexyl ester Formula: C24H31N7O3S MolecularWeight: 497.61304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1CCNCC1C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4)OS(=O)(=O)C

Isomeric SMILES

CCCCCC(N1CCNCC1C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4)OS(=O)(=O)C

InChI

InChI=1S/C24H31N7O3S/c1-3-4-5-12-21(34-35(2,32)33)31-16-15-25-17-20(31)24-29-22(18-10-6-8-13-26-18)28-23(30-24)19-11-7-9-14-27-19/h6-11,13-14,20-21,25H,3-5,12,15-17H2,1-2H3