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

Systemtic Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-methyl-7H-purine-2,6-quinone Formula: C12H19N6O3+ MolecularWeight: 295.31766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CC[NH+](CC3)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C12H18N6O3/c1-16-9-8(10(20)15-12(16)21)13-11(14-9)18-4-2-17(3-5-18)6-7-19/h19H,2-7H2,1H3,(H,13,14)(H,15,20,21)/p+1