5-(4-bromophenyl)-2-(pyridin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-(pyridin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-(2-pyridylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(2-pyridinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-(pyridin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(2-pyridylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H12BrN3OS2 MolecularWeight: 430.34138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

Isomeric SMILES

C1=CC=NC(=C1)SCC2=NC3=C(C(=CS3)C4=CC=C(C=C4)Br)C(=O)N2

InChI

InChI=1S/C18H12BrN3OS2/c19-12-6-4-11(5-7-12)13-9-25-18-16(13)17(23)21-14(22-18)10-24-15-3-1-2-8-20-15/h1-9H,10H2,(H,21,22,23)