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

Systemtic Name: 2-ethyl-9-methyl-2-oxidanidyl-6-(phenylmethyl)-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Openeye Name: 6-benzyl-2-ethyl-9-methyl-2-oxido-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one CAS Name: 2-ethyl-9-methyl-2-oxido-6-(phenylmethyl)-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one IUPAC Name: 6-benzyl-2-ethyl-9-methyl-2-oxido-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Traditional Name: 6-benzyl-2-ethyl-9-methyl-2-oxido-3H-[1,2,4]triazolo[3,4-f]purin-2-ium-5-one Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CN2C(=N1)C3=C(N=CN3C)N(C2=O)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CC[N+]1(CN2C(=N1)C3=C(N=CN3C)N(C2=O)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C16H18N6O2/c1-3-22(24)11-21-15(18-22)13-14(17-10-19(13)2)20(16(21)23)9-12-7-5-4-6-8-12/h4-8,10H,3,9,11H2,1-2H3