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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC=C3C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=CN(C2=O)CCCCOC3=CC=CC=C3C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H25BrN2O2S/c1-3-21-22(18-10-12-19(26)13-11-18)23-24(31-21)27-16-28(25(23)29)14-6-7-15-30-20-9-5-4-8-17(20)2/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3