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

Systemtic Name: N-(4-fluorophenyl)-2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]-N-(4-fluorophenyl)acetamide Formula: C20H18FN3O2S MolecularWeight: 383.439223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O2S/c1-13-17(11-18(25)23-16-9-7-15(21)8-10-16)19(26)24-20(22-13)27-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,25)(H,22,24,26)