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

Systemtic Name: methanesulfonic acid; 2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine Openeye Name: methanesulfonic acid; 2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine CAS Name: methanesulfonic acid; 2-[4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl]-7H-purine IUPAC Name: methanesulfonic acid; 2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine Traditional Name: mesylic acid; 2-[4-[2-(2-methoxyphenoxy)ethyl]piperazino]-7H-purine Formula: C20H30N6O8S2 MolecularWeight: 546.6176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCN2CCN(CC2)C3=NC=C4C(=N3)N=CN4.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1OCCN2CCN(CC2)C3=NC=C4C(=N3)N=CN4.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H22N6O2.2CH4O3S/c1-25-15-4-2-3-5-16(15)26-11-10-23-6-8-24(9-7-23)18-19-12-14-17(22-18)21-13-20-14;2*1-5(2,3)4/h2-5,12-13H,6-11H2,1H3,(H,19,20,21,22);2*1H3,(H,2,3,4)