5-phenyl-2-(quinolin-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-(quinolin-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-(2-quinolylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-(2-quinolinylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-(quinolin-2-ylmethylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-(2-quinolylmethylthio)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H15N3OS2 MolecularWeight: 401.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H15N3OS2/c26-20-19-17(14-6-2-1-3-7-14)13-27-21(19)25-22(24-20)28-12-16-11-10-15-8-4-5-9-18(15)23-16/h1-11,13H,12H2,(H,24,25,26)