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

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-3-[4-(3-methylphenoxy)butyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-bromophenyl)-6-ethyl-3-[4-(3-methylphenoxy)butyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-3-[4-(3-methylphenoxy)butyl]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=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC(=C3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC(=C3)C)C4=CC=C(C=C4)Br

InChI

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