1-ethyl-6-methyl-3-pyridin-3-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione

Systemtic Name: 1-ethyl-6-methyl-3-pyridin-3-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione Openeye Name: 1-ethyl-6-methyl-3-(3-pyridyl)-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione CAS Name: 1-ethyl-6-methyl-3-(3-pyridinyl)-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione IUPAC Name: 1-ethyl-6-methyl-3-pyridin-3-yl-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-dione Traditional Name: 1-ethyl-6-methyl-3-(3-pyridyl)-8H-pyrimido[5,4-e][1,2,4]triazin-1-ium-5,7-quinone Formula: C13H13N6O2+ MolecularWeight: 285.28132

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC(=NC2=C1NC(=O)N(C2=O)C)C3=CN=CC=C3

Isomeric SMILES

CC[N+]1=NC(=NC2=C1NC(=O)N(C2=O)C)C3=CN=CC=C3

InChI

InChI=1S/C13H12N6O2/c1-3-19-11-9(12(20)18(2)13(21)16-11)15-10(17-19)8-5-4-6-14-7-8/h4-7H,3H2,1-2H3/p+1