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

Systemtic Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-phenethyl-ethanamide Openeye Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethyl-acetamide CAS Name: 2-[2-[(2-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide IUPAC Name: 2-[2-[(2-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-phenethylacetamide Traditional Name: 2-[2-[(2-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-phenethyl-acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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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=CC=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-18-9-5-4-8-16(18)14-28-21-24-17(13-20(27)25-21)12-19(26)23-11-10-15-6-2-1-3-7-15/h1-9,13H,10-12,14H2,(H,23,26)(H,24,25,27)