4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-hexyl-butanamide

Systemtic Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyridin-4-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-hexyl-butanamide Openeye Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-4-pyridyl)methyl]-4-oxo-pyrimidin-1-yl]-N-hexyl-butanamide CAS Name: 4-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-4-pyridinyl)methyl]-4-oxo-1-pyrimidinyl]-N-hexylbutanamide IUPAC Name: 4-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyridin-4-yl)methyl]-4-oxopyrimidin-1-yl]-N-hexylbutanamide Traditional Name: 4-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(2-keto-1-methyl-4-pyridyl)methyl]pyrimidin-1-yl]-N-hexyl-butyramide Formula: C28H35FN4O3S MolecularWeight: 526.665903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CC(=O)N(C=C3)C

Isomeric SMILES

CCCCCCNC(=O)CCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CC(=O)N(C=C3)C

InChI

InChI=1S/C28H35FN4O3S/c1-3-4-5-6-14-30-25(34)8-7-15-33-19-23(17-22-13-16-32(2)26(35)18-22)27(36)31-28(33)37-20-21-9-11-24(29)12-10-21/h9-13,16,18-19H,3-8,14-15,17,20H2,1-2H3,(H,30,34)