1,6-dimethyl-4-oxidanidyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 1,6-dimethyl-4-oxidanidyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 1,6-dimethyl-4-oxido-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 1,6-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 1,6-dimethyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 1,6-dimethyl-4-oxido-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C13H11N5O3/c1-16-12(19)9-11(14-13(16)20)17(2)15-10(18(9)21)8-6-4-3-5-7-8/h3-7H,1-2H3