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

Systemtic Name: 2,5-dimethyl-7-phenyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidin-8-ium Openeye Name: 2,5-dimethyl-7-phenyl-tetrazolo[1,5-a]pyrimidin-8-ium CAS Name: 2,5-dimethyl-7-phenyltetrazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 2,5-dimethyl-7-phenyltetrazolo[1,5-a]pyrimidin-8-ium Traditional Name: 2,5-dimethyl-7-phenyl-tetrazolo[1,5-a]pyrimidin-8-ium Formula: C12H12N5+ MolecularWeight: 226.25718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NN(N=[N+]2C(=C1)C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC2=NN(N=[N+]2C(=C1)C3=CC=CC=C3)C

InChI

InChI=1S/C12H12N5/c1-9-8-11(10-6-4-3-5-7-10)17-12(13-9)14-16(2)15-17/h3-8H,1-2H3/q+1