N-(2-fluoranyl-4-methyl-phenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-fluoranyl-4-methyl-phenyl)-2-[1-octyl-4,6-bis(oxidanylidene)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-fluoro-4-methyl-phenyl)-2-(1-octyl-4,6-dioxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-fluoro-4-methylphenyl)-2-[(1-octyl-4,6-dioxo-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-fluoro-4-methylphenyl)-2-(1-octyl-4,6-dioxopyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(4,6-diketo-1-octyl-pyrimidin-2-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NC2=C(C=C(C=C2)C)F

Isomeric SMILES

CCCCCCCCN1C(=O)CC(=O)N=C1SCC(=O)NC2=C(C=C(C=C2)C)F

InChI

InChI=1S/C21H28FN3O3S/c1-3-4-5-6-7-8-11-25-20(28)13-18(26)24-21(25)29-14-19(27)23-17-10-9-15(2)12-16(17)22/h9-10,12H,3-8,11,13-14H2,1-2H3,(H,23,27)