3-methyl-2-methylsulfanyl-5-(3-oxidanylidenebutyl)pyrimidin-4-one

Systemtic Name: 3-methyl-2-methylsulfanyl-5-(3-oxidanylidenebutyl)pyrimidin-4-one Openeye Name: 3-methyl-2-methylsulfanyl-5-(3-oxobutyl)pyrimidin-4-one CAS Name: 3-methyl-2-(methylthio)-5-(3-oxobutyl)-4-pyrimidinone IUPAC Name: 3-methyl-2-methylsulfanyl-5-(3-oxobutyl)pyrimidin-4-one Traditional Name: 5-(3-ketobutyl)-3-methyl-2-(methylthio)pyrimidin-4-one Formula: C10H14N2O2S MolecularWeight: 226.29536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CN=C(N(C1=O)C)SC

Isomeric SMILES

CC(=O)CCC1=CN=C(N(C1=O)C)SC

InChI

InChI=1S/C10H14N2O2S/c1-7(13)4-5-8-6-11-10(15-3)12(2)9(8)14/h6H,4-5H2,1-3H3