5-butyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-(2-oxopropylthio)-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-(2-oxopropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 2-(acetonylthio)-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2S/c1-4-5-6-10-9(3)13-12(14-11(10)16)17-7-8(2)15/h4-7H2,1-3H3,(H,13,14,16)