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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(1-piperazin-4-iumyl)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-piperazin-4-ium-1-yl-xanthine Formula: C13H21N6O2+ MolecularWeight: 293.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H20N6O2/c1-4-19-9-10(16(2)13(21)17(3)11(9)20)15-12(19)18-7-5-14-6-8-18/h14H,4-8H2,1-3H3/p+1