5-bromanyl-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one

Systemtic Name: 5-bromanyl-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one Openeye Name: 5-bromo-1-(m-tolylsulfanylmethyl)pyrimidin-2-one CAS Name: 5-bromo-1-[[(3-methylphenyl)thio]methyl]-2-pyrimidinone IUPAC Name: 5-bromo-1-[(3-methylphenyl)sulfanylmethyl]pyrimidin-2-one Traditional Name: 5-bromo-1-[(m-tolylthio)methyl]pyrimidin-2-one Formula: C12H11BrN2OS MolecularWeight: 311.19754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCN2C=C(C=NC2=O)Br

Isomeric SMILES

CC1=CC(=CC=C1)SCN2C=C(C=NC2=O)Br

InChI

InChI=1S/C12H11BrN2OS/c1-9-3-2-4-11(5-9)17-8-15-7-10(13)6-14-12(15)16/h2-7H,8H2,1H3