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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O3/c1-17-5-7-20(8-6-17)14-16-12-11(21(14)9-10-24-4)13(22)19(3)15(23)18(12)2/h5-10H2,1-4H3/p+1