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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C14H23N6O3+ MolecularWeight: 323.37082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N6O3/c1-17-4-6-19(7-5-17)13-15-11-10(20(13)8-9-23-3)12(21)16-14(22)18(11)2/h4-9H2,1-3H3,(H,16,21,22)/p+1