2-[(3-bromophenyl)methylsulfanyl]-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one CAS Name: 2-[(3-bromophenyl)methylthio]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one Traditional Name: 2-[(3-bromobenzyl)thio]-4-hydroxy-5-phenyl-1H-pyrimidin-6-one Formula: C17H13BrN2O2S MolecularWeight: 389.26632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC3=CC(=CC=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(NC2=O)SCC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C17H13BrN2O2S/c18-13-8-4-5-11(9-13)10-23-17-19-15(21)14(16(22)20-17)12-6-2-1-3-7-12/h1-9H,10H2,(H2,19,20,21,22)