4-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-N-methyl-butanamide

Systemtic Name: 4-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-N-methyl-butanamide Openeye Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-N-methyl-butanamide CAS Name: 4-[2-[(3,4-difluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-hexyl-N-methylbutanamide IUPAC Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-hexyl-N-methylbutanamide Traditional Name: 4-[2-[(3,4-difluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-hexyl-N-methyl-butyramide Formula: C27H33F2N5O2S MolecularWeight: 529.645026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33F2N5O2S/c1-3-4-5-6-11-33(2)25(35)8-7-12-34-17-22(13-21-15-30-19-31-16-21)26(36)32-27(34)37-18-20-9-10-23(28)24(29)14-20/h9-10,14-17,19H,3-8,11-13,18H2,1-2H3