8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C13H21N6O3+ MolecularWeight: 309.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH+](CC3)CCO

InChI

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