5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-2-(3-chlorobenzyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16BrClN2OS MolecularWeight: 459.78654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrClN2OS/c1-2-16-18(13-6-8-14(22)9-7-13)19-20(26)24-17(25-21(19)27-16)11-12-4-3-5-15(23)10-12/h3-10H,2,11H2,1H3,(H,24,25,26)