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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-3-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]propanamide Openeye Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-chloro-2-fluoro-phenyl)propanamide CAS Name: N-(4-chloro-2-fluorophenyl)-3-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]propanamide IUPAC Name: 3-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-chloro-2-fluorophenyl)propanamide Traditional Name: 3-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-chloro-2-fluoro-phenyl)propionamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H19ClFN3O2S/c1-13-16(8-10-19(27)25-18-9-7-15(22)11-17(18)23)20(28)26-21(24-13)29-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,25,27)(H,24,26,28)