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

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(4-chlorophenoxy)propylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-(4-chlorophenoxy)propylthio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2O2S2 MolecularWeight: 428.95488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SCCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S2/c22-15-7-9-16(10-8-15)26-11-4-12-27-21-23-19(25)18-17(13-28-20(18)24-21)14-5-2-1-3-6-14/h1-3,5-10,13H,4,11-12H2,(H,23,24,25)