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

Systemtic Name: 3,7-dimethyl-8-pyridin-1-ium-1-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-pyridin-1-ium-1-yl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(1-pyridin-1-iumyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-pyridin-1-ium-1-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-pyridin-1-ium-1-yl-xanthine Formula: C12H12N5O2+ MolecularWeight: 258.25598

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+]3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1[N+]3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H11N5O2/c1-15-8-9(16(2)12(19)14-10(8)18)13-11(15)17-6-4-3-5-7-17/h3-7H,1-2H3/p+1