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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methyl-1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2CCO)C(=O)NC(=O)N3C

InChI

InChI=1S/C13H20N6O3/c1-16-3-5-18(6-4-16)12-14-10-9(19(12)7-8-20)11(21)15-13(22)17(10)2/h20H,3-8H2,1-2H3,(H,15,21,22)/p+1