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

Systemtic Name: 5-(4-bromophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(2-pyrimidinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-[(2-pyrimidylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H11BrN4OS2 MolecularWeight: 431.32944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrN4OS2/c18-11-4-2-10(3-5-11)12-8-24-16-14(12)15(23)21-13(22-16)9-25-17-19-6-1-7-20-17/h1-8H,9H2,(H,21,22,23)