7-(2-ethoxyethyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-8-(4-ethyl-1-piperazin-4-iumyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-8-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-xanthine Formula: C16H27N6O3+ MolecularWeight: 351.42398

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCOCC)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H26N6O3/c1-4-20-6-8-21(9-7-20)15-17-13-12(22(15)10-11-25-5-2)14(23)18-16(24)19(13)3/h4-11H2,1-3H3,(H,18,23,24)/p+1