2-[(3-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-bromophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-bromobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H11BrN2OS MolecularWeight: 311.19754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC(=CC=C2)Br

InChI

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