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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=NC(=C1)C3=CC=CC=C3)N(N=N2)C

Isomeric SMILES

CC1=[N+]2C(=NC(=C1)C3=CC=CC=C3)N(N=N2)C

InChI

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