methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine

Systemtic Name: methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Openeye Name: methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine CAS Name: methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-7H-purine IUPAC Name: methanesulfonic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-7H-purine Traditional Name: mesylic acid; 2-[4-[3-(trifluoromethyl)phenyl]piperazino]-7H-purine Formula: C18H23F3N6O6S2 MolecularWeight: 540.53703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=C4C(=N3)N=CN4

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=NC=C4C(=N3)N=CN4

InChI

InChI=1S/C16H15F3N6.2CH4O3S/c17-16(18,19)11-2-1-3-12(8-11)24-4-6-25(7-5-24)15-20-9-13-14(23-15)22-10-21-13;2*1-5(2,3)4/h1-3,8-10H,4-7H2,(H,20,21,22,23);2*1H3,(H,2,3,4)