3-(4-chlorophenyl)-8-methyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 3-(4-chlorophenyl)-8-methyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 3-(4-chlorophenyl)-8-methyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 3-(4-chlorophenyl)-8-methyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 3-(4-chlorophenyl)-8-methyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 3-(4-chlorophenyl)-8-methyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C12H8ClN5O3 MolecularWeight: 305.67662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](=C(N=N2)C3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](=C(N=N2)C3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C12H8ClN5O3/c1-17-10-8(11(19)14-12(17)20)18(21)9(15-16-10)6-2-4-7(13)5-3-6/h2-5H,1H3,(H,14,19,20)