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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(3-bromophenyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(3-bromobenzyl)thio]-1H-pyrimidin-6-one Formula: C11H9BrN2OS MolecularWeight: 297.17096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C11H9BrN2OS/c12-9-3-1-2-8(6-9)7-16-11-13-5-4-10(15)14-11/h1-6H,7H2,(H,13,14,15)