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

Systemtic Name: 4-[2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-(3-ethoxypropyl)butanamide Openeye Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-(3-ethoxypropyl)butanamide CAS Name: 4-[2-[(3,4-difluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-N-(3-ethoxypropyl)butanamide IUPAC Name: 4-[2-[(3,4-difluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]-N-(3-ethoxypropyl)butanamide Traditional Name: 4-[2-[(3,4-difluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]-N-(3-ethoxypropyl)butyramide Formula: C25H29F2N5O3S MolecularWeight: 517.591266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29F2N5O3S/c1-2-35-10-4-8-30-23(33)5-3-9-32-15-20(11-19-13-28-17-29-14-19)24(34)31-25(32)36-16-18-6-7-21(26)22(27)12-18/h6-7,12-15,17H,2-5,8-11,16H2,1H3,(H,30,33)