methyl (4aS)-5,7-dimethyl-6-oxidanylidene-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylate

Systemtic Name: methyl (4aS)-5,7-dimethyl-6-oxidanylidene-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylate Openeye Name: methyl (4aS)-5,7-dimethyl-6-oxo-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylate CAS Name: (4aS)-5,7-dimethyl-6-oxo-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS)-5,7-dimethyl-6-oxo-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylate Traditional Name: (4aS)-6-keto-5,7-dimethyl-2H-imidazo[4,5-e][1,2,4]triazine-4a-carboxylic acid methyl ester Formula: C8H11N5O3 MolecularWeight: 225.20464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NNC=NC2(N(C1=O)C)C(=O)OC

Isomeric SMILES

CN1C2=NNC=N[C@@]2(N(C1=O)C)C(=O)OC

InChI

InChI=1S/C8H11N5O3/c1-12-5-8(6(14)16-3,9-4-10-11-5)13(2)7(12)15/h4H,1-3H3,(H,9,10)/t8-/m0/s1