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

Systemtic Name: 3-[3-(4-chloranylphenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(4-chlorophenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(4-chlorophenoxy)propyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(4-chlorophenoxy)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(4-chlorophenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17ClN2O2S MolecularWeight: 396.88988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN2O2S/c22-16-7-9-17(10-8-16)26-12-4-11-24-14-23-20-19(21(24)25)18(13-27-20)15-5-2-1-3-6-15/h1-3,5-10,13-14H,4,11-12H2