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

Systemtic Name: 1-ethyl-6-methyl-4-oxidanidyl-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 1-ethyl-6-methyl-4-oxido-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 1-ethyl-6-methyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 1-ethyl-6-methyl-4-oxido-3-phenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 1-ethyl-6-methyl-4-oxido-3-phenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CCN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C14H13N5O3/c1-3-18-12-10(13(20)17(2)14(21)15-12)19(22)11(16-18)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3