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

Systemtic Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-piperazin-4-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-piperazin-4-ium-1-yl-7H-purine-2,6-quinone Formula: C11H17N6O2+ MolecularWeight: 265.29168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH2+]CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C11H16N6O2/c1-15-8-7(9(18)16(2)11(15)19)13-10(14-8)17-5-3-12-4-6-17/h12H,3-6H2,1-2H3,(H,13,14)/p+1