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

Systemtic Name: 1-[2-(bromomethyl)-2-(hydroxymethyl)-3-oxidanyl-propyl]-2-methylsulfanyl-6-propyl-pyrimidin-4-one Openeye Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-2-methylsulfanyl-6-propyl-pyrimidin-4-one CAS Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-2-(methylthio)-6-propyl-4-pyrimidinone IUPAC Name: 1-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propyl]-2-methylsulfanyl-6-propylpyrimidin-4-one Traditional Name: 1-[2-(bromomethyl)-3-hydroxy-2-methylol-propyl]-2-(methylthio)-6-propyl-pyrimidin-4-one Formula: C13H21BrN2O3S MolecularWeight: 365.28644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1CC(CO)(CO)CBr)SC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1CC(CO)(CO)CBr)SC

InChI

InChI=1S/C13H21BrN2O3S/c1-3-4-10-5-11(19)15-12(20-2)16(10)7-13(6-14,8-17)9-18/h5,17-18H,3-4,6-9H2,1-2H3