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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-6-ethyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-6-ethyl-1H-pyrimidin-4-one Formula: C13H13BrN2OS MolecularWeight: 325.22412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=CC(=O)N=C(N1)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H13BrN2OS/c1-2-11-7-12(17)16-13(15-11)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,16,17)