5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-[3-(4-ethylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one Formula: C25H25BrN2O2S MolecularWeight: 497.4472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)CC)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCCCN2C=NC3=C(C2=O)C(=C(S3)CC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O2S/c1-3-17-6-12-20(13-7-17)30-15-5-14-28-16-27-24-23(25(28)29)22(21(4-2)31-24)18-8-10-19(26)11-9-18/h6-13,16H,3-5,14-15H2,1-2H3