2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[2-[(3-chlorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[2-[(3-chlorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]-N-(2,5-dimethoxyphenyl)acetamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-28-16-6-7-18(29-2)17(11-16)24-19(26)9-15-10-20(27)25-21(23-15)30-12-13-4-3-5-14(22)8-13/h3-8,10-11H,9,12H2,1-2H3,(H,24,26)(H,23,25,27)