3-butyl-5-methyl-6-(2-methylpropyl)-1H-pyrazin-2-one

Systemtic Name: 3-butyl-5-methyl-6-(2-methylpropyl)-1H-pyrazin-2-one Openeye Name: 3-butyl-6-isobutyl-5-methyl-1H-pyrazin-2-one CAS Name: 3-butyl-5-methyl-6-(2-methylpropyl)-1H-pyrazin-2-one IUPAC Name: 3-butyl-5-methyl-6-(2-methylpropyl)-1H-pyrazin-2-one Traditional Name: 3-butyl-6-isobutyl-5-methyl-1H-pyrazin-2-one Formula: C13H22N2O MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(NC1=O)CC(C)C)C

Isomeric SMILES

CCCCC1=NC(=C(NC1=O)CC(C)C)C

InChI

InChI=1S/C13H22N2O/c1-5-6-7-11-13(16)15-12(8-9(2)3)10(4)14-11/h9H,5-8H2,1-4H3,(H,15,16)