2-ethoxy-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-1-oxidanidyl-pyridin-1-ium-3-yl]-8-methyl-9-propyl-purine

Systemtic Name: 2-ethoxy-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-1-oxidanidyl-pyridin-1-ium-3-yl]-8-methyl-9-propyl-purine Openeye Name: 2-ethoxy-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-1-oxido-pyridin-1-ium-3-yl]-8-methyl-9-propyl-purine CAS Name: 2-ethoxy-6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-1-oxido-3-pyridin-1-iumyl]-8-methyl-9-propylpurine IUPAC Name: 2-ethoxy-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-1-oxidopyridin-1-ium-3-yl]-8-methyl-9-propylpurine Traditional Name: 2-ethoxy-6-[5-(4-ethylpiperazino)sulfonyl-1-oxido-pyridin-1-ium-3-yl]-8-methyl-9-propyl-purine Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C(N=C(N=C21)OCC)C3=CC(=C[N+](=C3)[O-])S(=O)(=O)N4CCN(CC4)CC)C

Isomeric SMILES

CCCN1C(=NC2=C(N=C(N=C21)OCC)C3=CC(=C[N+](=C3)[O-])S(=O)(=O)N4CCN(CC4)CC)C

InChI

InChI=1S/C22H31N7O4S/c1-5-8-29-16(4)23-20-19(24-22(33-7-3)25-21(20)29)17-13-18(15-27(30)14-17)34(31,32)28-11-9-26(6-2)10-12-28/h13-15H,5-12H2,1-4H3