5-ethyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-ethyl-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-ethyl-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C12H20N2OS MolecularWeight: 240.365

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCCC(C)C)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCCC(C)C)C

InChI

InChI=1S/C12H20N2OS/c1-5-10-9(4)13-12(14-11(10)15)16-7-6-8(2)3/h8H,5-7H2,1-4H3,(H,13,14,15)