2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H13N3OS3 MolecularWeight: 407.53172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5S4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=NC5=CC=CC=C5S4)SC=C3

InChI

InChI=1S/C20H13N3OS3/c24-19-14-10-11-25-18(14)22-20(23(19)13-6-2-1-3-7-13)26-12-17-21-15-8-4-5-9-16(15)27-17/h1-11H,12H2