2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium

Systemtic Name: 2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium Openeye Name: 2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium CAS Name: 2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium IUPAC Name: 2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium Traditional Name: 2,5-dimethyl-7-phenyl-[1,2,4]oxadiazolo[2,3-a]pyrimidin-8-ium Formula: C13H12N3O+ MolecularWeight: 226.25388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)OC(=N2)C

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)OC(=N2)C

InChI

InChI=1S/C13H12N3O/c1-9-8-12(11-6-4-3-5-7-11)16-13(14-9)15-10(2)17-16/h3-8H,1-2H3/q+1