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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C

InChI

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