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

Systemtic Name: 5-heptyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-heptyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-heptyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-heptyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-heptyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C12H18N4O MolecularWeight: 234.29752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=O)N2C(=N1)N=CN2

Isomeric SMILES

CCCCCCCC1=CC(=O)N2C(=N1)N=CN2

InChI

InChI=1S/C12H18N4O/c1-2-3-4-5-6-7-10-8-11(17)16-12(15-10)13-9-14-16/h8-9H,2-7H2,1H3,(H,13,14,15)