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

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[2-[(3-methoxyphenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-keto-2-(m-anisylthio)-1H-pyrimidin-6-yl]-N-[3-(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=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC(=CC=C3)SC

InChI

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