6-(2-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-piperazin-1-yl)hexyl methanesulfonate

Systemtic Name: 6-(2-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-piperazin-1-yl)hexyl methanesulfonate Openeye Name: 6-(2-pyrimidin-4-yl-2,6-dipyrrolidin-1-yl-piperazin-1-yl)hexyl methanesulfonate CAS Name: methanesulfonic acid 6-[2-(4-pyrimidinyl)-2,6-bis(1-pyrrolidinyl)-1-piperazinyl]hexyl ester IUPAC Name: 6-(2-pyrimidin-4-yl-2,6-dipyrrolidin-1-ylpiperazin-1-yl)hexyl methanesulfonate Traditional Name: methanesulfonic acid 6-[2-(4-pyrimidyl)-2,6-dipyrrolidino-piperazino]hexyl ester Formula: C23H40N6O3S MolecularWeight: 480.6671

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCCN1C(CNCC1(C2=NC=NC=C2)N3CCCC3)N4CCCC4

Isomeric SMILES

CS(=O)(=O)OCCCCCCN1C(CNCC1(C2=NC=NC=C2)N3CCCC3)N4CCCC4

InChI

InChI=1S/C23H40N6O3S/c1-33(30,31)32-17-9-3-2-4-16-29-22(27-12-5-6-13-27)18-25-19-23(29,28-14-7-8-15-28)21-10-11-24-20-26-21/h10-11,20,22,25H,2-9,12-19H2,1H3