2-[4-(4-chloranylphenoxy)butylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylsulfanyl]-5-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[4-(4-chlorophenoxy)butylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[4-(4-chlorophenoxy)butylthio]-5-phenyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[4-(4-chlorophenoxy)butylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H23ClN2O2S2 MolecularWeight: 483.04532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCCCOC3=CC=C(C=C3)Cl)SC=C2C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCCCOC3=CC=C(C=C3)Cl)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN2O2S2/c1-2-14-28-24(29)22-21(18-8-4-3-5-9-18)17-32-23(22)27-25(28)31-16-7-6-15-30-20-12-10-19(26)11-13-20/h2-5,8-13,17H,1,6-7,14-16H2