(3E)-1-ethyl-9-methyl-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: (3E)-1-ethyl-9-methyl-3-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: (3E)-1-ethyl-3-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-9-methyl-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: (3E)-1-ethyl-3-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-9-methyl-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: (3E)-1-ethyl-3-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-9-methyl-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: (3E)-1-ethyl-3-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-9-methyl-2,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC3=C(N2CC(=C4C=CC(=O)C(=C4)O)N1)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1C2=NC3=C(N2C/C(=C\4/C=CC(=O)C(=C4)O)/N1)C(=O)NC(=O)N3C

InChI

InChI=1S/C16H16N6O4/c1-3-22-15-17-13-12(14(25)18-16(26)20(13)2)21(15)7-9(19-22)8-4-5-10(23)11(24)6-8/h4-6,19,24H,3,7H2,1-2H3,(H,18,25,26)/b9-8+