5-(4-bromophenyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H12BrN3O2S2 MolecularWeight: 446.34078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2)[O-]

InChI

InChI=1S/C18H12BrN3O2S2/c19-12-6-4-11(5-7-12)13-9-26-18-16(13)17(23)20-14(21-18)10-25-15-3-1-2-8-22(15)24/h1-9H,10H2,(H,20,21,23)