2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-heptyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC2=NC(=CC(=O)N2N1)C

Isomeric SMILES

CCCCCCCC1=NC2=NC(=CC(=O)N2N1)C

InChI

InChI=1S/C13H20N4O/c1-3-4-5-6-7-8-11-15-13-14-10(2)9-12(18)17(13)16-11/h9H,3-8H2,1-2H3,(H,14,15,16)