7-ethyl-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-piperazin-4-ium-1-yl-xanthine Formula: C12H19N6O2+ MolecularWeight: 279.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H18N6O2/c1-3-18-8-9(16(2)12(20)15-10(8)19)14-11(18)17-6-4-13-5-7-17/h13H,3-7H2,1-2H3,(H,15,19,20)/p+1