3-methyl-7-(2-oxidanylidenepropyl)-4aH-imidazo[4,5-d][1,2,3]triazin-7-ium-4-one

Systemtic Name: 3-methyl-7-(2-oxidanylidenepropyl)-4aH-imidazo[4,5-d][1,2,3]triazin-7-ium-4-one Openeye Name: 7-acetonyl-3-methyl-4aH-imidazo[4,5-d]triazin-7-ium-4-one CAS Name: 3-methyl-7-(2-oxopropyl)-4aH-imidazo[4,5-d]triazin-7-ium-4-one IUPAC Name: 3-methyl-7-(2-oxopropyl)-4aH-imidazo[4,5-d]triazin-7-ium-4-one Traditional Name: 7-acetonyl-3-methyl-4aH-imidazo[4,5-d]triazin-7-ium-4-one Formula: C8H10N5O2+ MolecularWeight: 208.1973

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C2C(C(=O)N(N=N2)C)N=C1

Isomeric SMILES

CC(=O)C[N+]1=C2C(C(=O)N(N=N2)C)N=C1

InChI

InChI=1S/C8H10N5O2/c1-5(14)3-13-4-9-6-7(13)10-11-12(2)8(6)15/h4,6H,3H2,1-2H3/q+1