2-[2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(4-bromophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(4-bromophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(4-bromobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c22-17-8-6-16(7-9-17)14-28-21-24-18(13-20(27)25-21)12-19(26)23-11-10-15-4-2-1-3-5-15/h1-9,13H,10-12,14H2,(H,23,26)(H,24,25,27)