5-fluoranyl-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; methanesulfonic acid

Systemtic Name: 5-fluoranyl-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; methanesulfonic acid Openeye Name: 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; methanesulfonic acid CAS Name: 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine; methanesulfonic acid IUPAC Name: 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine; methanesulfonic acid Traditional Name: 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine; mesylic acid Formula: C20H27FN6O6S2 MolecularWeight: 530.593383

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CN=C(N2)C3=CC=CC=C3)C4=NC=C(C=N4)F

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CC2=CN=C(N2)C3=CC=CC=C3)C4=NC=C(C=N4)F

InChI

InChI=1S/C18H19FN6.2CH4O3S/c19-15-10-21-18(22-11-15)25-8-6-24(7-9-25)13-16-12-20-17(23-16)14-4-2-1-3-5-14;2*1-5(2,3)4/h1-5,10-12H,6-9,13H2,(H,20,23);2*1H3,(H,2,3,4)