4-[2-(5-azanyl-6-oxidanylidene-2-thiophen-2-yl-pyrimidin-1-yl)ethanoylamino]-2,2-bis(fluoranyl)-N,5-dimethyl-3-oxidanylidene-hexanamide

Systemtic Name: 4-[2-(5-azanyl-6-oxidanylidene-2-thiophen-2-yl-pyrimidin-1-yl)ethanoylamino]-2,2-bis(fluoranyl)-N,5-dimethyl-3-oxidanylidene-hexanamide Openeye Name: 4-[[2-[5-amino-6-oxo-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-N,5-dimethyl-3-oxo-hexanamide CAS Name: 4-[[2-(5-amino-6-oxo-2-thiophen-2-yl-1-pyrimidinyl)-1-oxoethyl]amino]-2,2-difluoro-N,5-dimethyl-3-oxohexanamide IUPAC Name: 4-[[2-(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]-2,2-difluoro-N,5-dimethyl-3-oxohexanamide Traditional Name: 4-[[2-[5-amino-6-keto-2-(2-thienyl)pyrimidin-1-yl]acetyl]amino]-2,2-difluoro-3-keto-N,5-dimethyl-hexanamide Formula: C18H21F2N5O4S MolecularWeight: 441.452246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(=O)NC)(F)F)NC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)C(C(=O)NC)(F)F)NC(=O)CN1C(=NC=C(C1=O)N)C2=CC=CS2

InChI

InChI=1S/C18H21F2N5O4S/c1-9(2)13(14(27)18(19,20)17(29)22-3)24-12(26)8-25-15(11-5-4-6-30-11)23-7-10(21)16(25)28/h4-7,9,13H,8,21H2,1-3H3,(H,22,29)(H,24,26)