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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)NC2=O)C

InChI

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