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

Systemtic Name: 2,7-dimethyl-5-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-4-ium Openeye Name: 2,7-dimethyl-5-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-4-ium CAS Name: 2,7-dimethyl-5-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-4-ium IUPAC Name: 2,7-dimethyl-5-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-4-ium Traditional Name: 2,7-dimethyl-5-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-4-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)N=C(O2)C

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(O2)C

InChI

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