2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H15ClN2O3S2 MolecularWeight: 442.9384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3)Cl

InChI

InChI=1S/C21H15ClN2O3S2/c22-15-6-13-8-26-11-27-18(13)14(7-15)9-29-21-23-19(25)17-16(10-28-20(17)24-21)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,23,24,25)