N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C17H20FN3O2S MolecularWeight: 349.423003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CCC2=C(NC(=NC2=O)SC)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CCC2=C(NC(=NC2=O)SC)C)F

InChI

InChI=1S/C17H20FN3O2S/c1-10-8-12(4-6-14(10)18)9-19-15(22)7-5-13-11(2)20-17(24-3)21-16(13)23/h4,6,8H,5,7,9H2,1-3H3,(H,19,22)(H,20,21,23)