6-azanyl-2-[(5-bromanylthiophen-2-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(5-bromanylthiophen-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(5-bromo-2-thienyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(5-bromo-2-thiophenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(5-bromothiophen-2-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(5-bromo-2-thienyl)methylthio]-1H-pyrimidin-4-one Formula: C9H8BrN3OS2 MolecularWeight: 318.21332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

C1=C(SC(=C1)Br)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C9H8BrN3OS2/c10-6-2-1-5(16-6)4-15-9-12-7(11)3-8(14)13-9/h1-3H,4H2,(H3,11,12,13,14)