7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C14H24N6O3+2 MolecularWeight: 324.37876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CC[NH+](CC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CC[NH+](CC3)CCO

InChI

InChI=1S/C14H22N6O3/c1-16-12-11(13(22)17(2)14(16)23)20(9-15-12)10-19-5-3-18(4-6-19)7-8-21/h9,21H,3-8,10H2,1-2H3/p+2