2-ethyl-9-methyl-2-oxidanidyl-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one

Systemtic Name: 2-ethyl-9-methyl-2-oxidanidyl-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Openeye Name: 2-ethyl-9-methyl-2-oxido-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one CAS Name: 2-ethyl-9-methyl-2-oxido-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one IUPAC Name: 2-ethyl-9-methyl-2-oxido-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Traditional Name: 2-ethyl-9-methyl-2-oxido-6-propyl-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Formula: C12H18N6O2 MolecularWeight: 278.31032

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C3=N[N+](CN3C1=O)(CC)[O-])N(C=N2)C

Isomeric SMILES

CCCN1C2=C(C3=N[N+](CN3C1=O)(CC)[O-])N(C=N2)C

InChI

InChI=1S/C12H18N6O2/c1-4-6-16-10-9(15(3)7-13-10)11-14-18(20,5-2)8-17(11)12(16)19/h7H,4-6,8H2,1-3H3