1-[2-(bromomethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 1-[2-(bromomethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-6-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-6-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 1-[2-(bromomethyl)-3-hydroxy-2-methylol-propyl]-6-methyl-2-(methylthio)pyrimidin-4-one Formula: C11H17BrN2O3S MolecularWeight: 337.23328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1CC(CO)(CO)CBr)SC

Isomeric SMILES

CC1=CC(=O)N=C(N1CC(CO)(CO)CBr)SC

InChI

InChI=1S/C11H17BrN2O3S/c1-8-3-9(17)13-10(18-2)14(8)5-11(4-12,6-15)7-16/h3,15-16H,4-7H2,1-2H3