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

Systemtic Name: 1-methyl-4-oxidanidyl-3,6-diphenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 1-methyl-4-oxido-3,6-diphenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 1-methyl-4-oxido-3,6-diphenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 1-methyl-4-oxido-3,6-diphenylpyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 1-methyl-4-oxido-3,6-diphenyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C18H13N5O3 MolecularWeight: 347.32752

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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-])C4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=O)N(C(=O)C2=[N+](C(=N1)C3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H13N5O3/c1-21-16-14(23(26)15(20-21)12-8-4-2-5-9-12)17(24)22(18(25)19-16)13-10-6-3-7-11-13/h2-11H,1H3