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

Systemtic Name: 1,3-dimethyl-8-quinolin-1-ium-1-yl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-quinolin-1-ium-1-yl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(1-quinolin-1-iumyl)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-quinolin-1-ium-1-yl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-quinolin-1-ium-1-yl-7H-purine-2,6-quinone Formula: C16H14N5O2+ MolecularWeight: 308.31466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C16H13N5O2/c1-19-13-12(14(22)20(2)16(19)23)17-15(18-13)21-9-5-7-10-6-3-4-8-11(10)21/h3-9H,1-2H3/p+1