1-methyl-7-phenyl-2H-[1,2,3]triazolo[5,1-b]purin-4-ium 4-oxide

Systemtic Name: 1-methyl-7-phenyl-2H-[1,2,3]triazolo[5,1-b]purin-4-ium 4-oxide Openeye Name: 1-methyl-7-phenyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide CAS Name: 1-methyl-7-phenyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide IUPAC Name: 1-methyl-7-phenyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide Traditional Name: 1-methyl-7-phenyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide Formula: C13H11N6O+ MolecularWeight: 267.26604

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Descriptors Computed from Structure

Canonical SMILES:

CN1NC=C2N1C3=NC(=NC3=C[N+]2=O)C4=CC=CC=C4

Isomeric SMILES

CN1NC=C2N1C3=NC(=NC3=C[N+]2=O)C4=CC=CC=C4

InChI

InChI=1S/C13H11N6O/c1-17-14-7-11-18(20)8-10-13(19(11)17)16-12(15-10)9-5-3-2-4-6-9/h2-8,14H,1H3/q+1