6-butyl-1,3-dimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione

Systemtic Name: 6-butyl-1,3-dimethyl-4-oxidanidyl-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Openeye Name: 6-butyl-1,3-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione CAS Name: 6-butyl-1,3-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione IUPAC Name: 6-butyl-1,3-dimethyl-4-oxidopyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione Traditional Name: 6-butyl-1,3-dimethyl-4-oxido-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-quinone Formula: C11H15N5O3 MolecularWeight: 265.2685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=[N+](C(=NN(C2=NC1=O)C)C)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=[N+](C(=NN(C2=NC1=O)C)C)[O-]

InChI

InChI=1S/C11H15N5O3/c1-4-5-6-15-10(17)8-9(12-11(15)18)14(3)13-7(2)16(8)19/h4-6H2,1-3H3