2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]-N-[2-(methylthio)phenyl]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H21N3O3S2/c1-27-16-7-5-6-14(10-16)13-29-21-22-15(12-20(26)24-21)11-19(25)23-17-8-3-4-9-18(17)28-2/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,22,24,26)