5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium CAS Name: 5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Traditional Name: 5-methyl-7-(7H-purin-6-yloxy)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium Formula: C11H9N8O+ MolecularWeight: 269.24216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N=CN2)OC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N=CN2)OC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C11H8N8O/c1-6-2-7(19-11(18-6)16-5-17-19)20-10-8-9(13-3-12-8)14-4-15-10/h2-5H,1H3,(H,12,13,14,15)/p+1