4-(4-hexylpiperazin-1-yl)-2,6-dipyrrolidin-1-yl-pyrimidine; methanesulfonic acid

Systemtic Name: 4-(4-hexylpiperazin-1-yl)-2,6-dipyrrolidin-1-yl-pyrimidine; methanesulfonic acid Openeye Name: 4-(4-hexylpiperazin-1-yl)-2,6-dipyrrolidin-1-yl-pyrimidine; methanesulfonic acid CAS Name: 4-(4-hexyl-1-piperazinyl)-2,6-bis(1-pyrrolidinyl)pyrimidine; methanesulfonic acid IUPAC Name: 4-(4-hexylpiperazin-1-yl)-2,6-dipyrrolidin-1-ylpyrimidine; methanesulfonic acid Traditional Name: 4-(4-hexylpiperazino)-2,6-dipyrrolidino-pyrimidine; mesylic acid Formula: C23H42N6O3S MolecularWeight: 482.68298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4.CS(=O)(=O)O

Isomeric SMILES

CCCCCCN1CCN(CC1)C2=NC(=NC(=C2)N3CCCC3)N4CCCC4.CS(=O)(=O)O

InChI

InChI=1S/C22H38N6.CH4O3S/c1-2-3-4-5-10-25-15-17-27(18-16-25)21-19-20(26-11-6-7-12-26)23-22(24-21)28-13-8-9-14-28;1-5(2,3)4/h19H,2-18H2,1H3;1H3,(H,2,3,4)