methanesulfonic acid; 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine

Systemtic Name: methanesulfonic acid; 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine Openeye Name: methanesulfonic acid; 2-[4-(2-pyridyl)piperazin-1-yl]-7H-purine CAS Name: methanesulfonic acid; 2-[4-(2-pyridinyl)-1-piperazinyl]-7H-purine IUPAC Name: methanesulfonic acid; 2-(4-pyridin-2-ylpiperazin-1-yl)-7H-purine Traditional Name: mesylic acid; 2-[4-(2-pyridyl)piperazino]-7H-purine Formula: C16H23N7O6S2 MolecularWeight: 473.52712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=CC=CC=N2)C3=NC=C4C(=N3)N=CN4

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1C2=CC=CC=N2)C3=NC=C4C(=N3)N=CN4

InChI

InChI=1S/C14H15N7.2CH4O3S/c1-2-4-15-12(3-1)20-5-7-21(8-6-20)14-16-9-11-13(19-14)18-10-17-11;2*1-5(2,3)4/h1-4,9-10H,5-8H2,(H,16,17,18,19);2*1H3,(H,2,3,4)