methanesulfonic acid; 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine

Systemtic Name: methanesulfonic acid; 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine Openeye Name: methanesulfonic acid; 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine CAS Name: methanesulfonic acid; 6-[4-(2-methoxyphenyl)-1-piperazinyl]-7H-purine IUPAC Name: methanesulfonic acid; 6-[4-(2-methoxyphenyl)piperazin-1-yl]-7H-purine Traditional Name: mesylic acid; 6-[4-(2-methoxyphenyl)piperazino]-7H-purine Formula: C18H26N6O7S2 MolecularWeight: 502.56504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=C3NC=N4.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=NC4=C3NC=N4.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C16H18N6O.2CH4O3S/c1-23-13-5-3-2-4-12(13)21-6-8-22(9-7-21)16-14-15(18-10-17-14)19-11-20-16;2*1-5(2,3)4/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20);2*1H3,(H,2,3,4)