2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-[3-(methylthio)phenyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)SC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC=C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-14-18(11-15-7-4-3-5-8-15)20(26)24-21(22-14)28-13-19(25)23-16-9-6-10-17(12-16)27-2/h3-10,12H,11,13H2,1-2H3,(H,23,25)(H,22,24,26)