6-(benzotriazol-1-ylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-(benzotriazol-1-ylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-(benzotriazol-1-ylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 6-(1-benzotriazolylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-(benzotriazol-1-ylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-(benzotriazol-1-ylmethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H11N7O MolecularWeight: 281.27274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=CN2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=CN2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C13H11N7O/c1-8-9(12(21)20-13(16-8)14-7-15-20)6-19-11-5-3-2-4-10(11)17-18-19/h2-5,7H,6H2,1H3,(H,14,15,16)