5-methyl-3-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one

Systemtic Name: 5-methyl-3-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Openeye Name: 3-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one CAS Name: 5-methyl-3-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one IUPAC Name: 3-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Traditional Name: 3-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-3-ium-7-one Formula: C13H13N4O+ MolecularWeight: 241.26852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)[N+](=CN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N2C(=N1)[N+](=CN2)CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O/c1-10-7-12(18)17-13(15-10)16(9-14-17)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/p+1