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

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-(4-ethylpiperazin-4-ium-1-yl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C15H25N6O3+ MolecularWeight: 337.3974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(N2CCOC)C(=O)NC(=O)N3C

InChI

InChI=1S/C15H24N6O3/c1-4-19-5-7-20(8-6-19)14-16-12-11(21(14)9-10-24-3)13(22)17-15(23)18(12)2/h4-10H2,1-3H3,(H,17,22,23)/p+1