N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-8-9-18(27-2)17(10-14)23-19(25)11-16-12-20(26)24-21(22-16)28-13-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,22,24,26)