2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O2S/c1-13-6-7-17(8-14(13)2)23-19(26)10-18-11-20(27)25-21(24-18)28-12-15-4-3-5-16(22)9-15/h3-9,11H,10,12H2,1-2H3,(H,23,26)(H,24,25,27)