(3E)-1-butyl-6-methyl-4-oxidanidyl-3-pyrrol-2-ylidene-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: (3E)-1-butyl-6-methyl-4-oxidanidyl-3-pyrrol-2-ylidene-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: (3E)-1-butyl-6-methyl-4-oxido-3-pyrrol-2-ylidene-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: (3E)-1-butyl-6-methyl-4-oxido-3-(2-pyrrolylidene)-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: (3E)-1-butyl-6-methyl-4-oxido-3-pyrrol-2-ylidene-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: (3E)-1-butyl-6-methyl-4-oxido-3-pyrrol-2-ylidene-2H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C14H16N6O3 MolecularWeight: 316.31524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC(=O)N(C(=O)C2=[N+](C(=C3C=CC=N3)N1)[O-])C

Isomeric SMILES

CCCCN1C2=NC(=O)N(C(=O)C2=[N+](/C(=C/3\C=CC=N3)/N1)[O-])C

InChI

InChI=1S/C14H16N6O3/c1-3-4-8-19-12-10(13(21)18(2)14(22)16-12)20(23)11(17-19)9-6-5-7-15-9/h5-7,17H,3-4,8H2,1-2H3/b11-9+