N-(1,2-dihydroacenaphthylen-5-yl)-2-[1-(4-fluorophenyl)-5-methyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-yl)-2-[1-(4-fluorophenyl)-5-methyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-yl)-2-[1-(4-fluorophenyl)-6-hydroxy-5-methyl-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,2-dihydroacenaphthylen-5-yl)-2-[[1-(4-fluorophenyl)-6-hydroxy-5-methyl-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-yl)-2-[1-(4-fluorophenyl)-6-hydroxy-5-methyl-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-acenaphthen-5-yl-2-[[1-(4-fluorophenyl)-6-hydroxy-4-keto-5-methyl-pyrimidin-2-yl]thio]acetamide Formula: C25H20FN3O3S MolecularWeight: 461.508003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=NC1=O)SCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C5=CC=C(C=C5)F)O

Isomeric SMILES

CC1=C(N(C(=NC1=O)SCC(=O)NC2=C3C=CC=C4C3=C(CC4)C=C2)C5=CC=C(C=C5)F)O

InChI

InChI=1S/C25H20FN3O3S/c1-14-23(31)28-25(29(24(14)32)18-10-8-17(26)9-11-18)33-13-21(30)27-20-12-7-16-6-5-15-3-2-4-19(20)22(15)16/h2-4,7-12,32H,5-6,13H2,1H3,(H,27,30)