5,7-diethyl-3-oxidanidyl-pyrimido[5,4-d][1,2,3]triazin-3-ium-6,8-dione

Systemtic Name: 5,7-diethyl-3-oxidanidyl-pyrimido[5,4-d][1,2,3]triazin-3-ium-6,8-dione Openeye Name: 5,7-diethyl-3-oxido-pyrimido[5,4-d]triazin-3-ium-6,8-dione CAS Name: 5,7-diethyl-3-oxidopyrimido[5,4-d]triazin-3-ium-6,8-dione IUPAC Name: 5,7-diethyl-3-oxidopyrimido[5,4-d]triazin-3-ium-6,8-dione Traditional Name: 5,7-diethyl-3-oxido-pyrimido[5,4-d]triazin-3-ium-6,8-quinone Formula: C9H11N5O3 MolecularWeight: 237.21534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C[N+](=NN=C2C(=O)N(C1=O)CC)[O-]

Isomeric SMILES

CCN1C2=C[N+](=NN=C2C(=O)N(C1=O)CC)[O-]

InChI

InChI=1S/C9H11N5O3/c1-3-12-6-5-14(17)11-10-7(6)8(15)13(4-2)9(12)16/h5H,3-4H2,1-2H3