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

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-bromophenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-bromophenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-bromophenyl)-6-ethyl-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-bromophenyl)-6-ethyl-2-(2-fluorobenzyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H16BrFN2OS MolecularWeight: 443.331943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3F)C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=C3F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrFN2OS/c1-2-16-18(12-7-9-14(22)10-8-12)19-20(26)24-17(25-21(19)27-16)11-13-5-3-4-6-15(13)23/h3-10H,2,11H2,1H3,(H,24,25,26)