tert-butyl N-[4-[(6Z)-6-[[(4-fluoranyl-2-methylsulfonyl-phenyl)methylamino]-oxidanyl-methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]oxan-4-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(6Z)-6-[[(4-fluoranyl-2-methylsulfonyl-phenyl)methylamino]-oxidanyl-methylidene]-4,5-bis(oxidanylidene)-1H-pyrimidin-2-yl]oxan-4-yl]carbamate Openeye Name: tert-butyl N-[4-[(6Z)-6-[[(4-fluoro-2-methylsulfonyl-phenyl)methylamino]-hydroxy-methylene]-4,5-dioxo-1H-pyrimidin-2-yl]tetrahydropyran-4-yl]carbamate CAS Name: N-[4-[(6Z)-6-[[(4-fluoro-2-methylsulfonylphenyl)methylamino]-hydroxymethylidene]-4,5-dioxo-1H-pyrimidin-2-yl]-4-oxanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(6Z)-6-[[(4-fluoro-2-methylsulfonylphenyl)methylamino]-hydroxymethylidene]-4,5-dioxo-1H-pyrimidin-2-yl]oxan-4-yl]carbamate Traditional Name: N-[4-[(6Z)-6-[[(4-fluoro-2-mesyl-benzyl)amino]-hydroxy-methylene]-4,5-diketo-1H-pyrimidin-2-yl]tetrahydropyran-4-yl]carbamic acid tert-butyl ester Formula: C23H29FN4O8S MolecularWeight: 540.561763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCOCC1)C2=NC(=O)C(=O)C(=C(NCC3=C(C=C(C=C3)F)S(=O)(=O)C)O)N2

Isomeric SMILES

CC(C)(C)OC(=O)NC1(CCOCC1)C2=NC(=O)C(=O)/C(=C(\NCC3=C(C=C(C=C3)F)S(=O)(=O)C)/O)/N2

InChI

InChI=1S/C23H29FN4O8S/c1-22(2,3)36-21(32)28-23(7-9-35-10-8-23)20-26-16(17(29)19(31)27-20)18(30)25-12-13-5-6-14(24)11-15(13)37(4,33)34/h5-6,11,25,30H,7-10,12H2,1-4H3,(H,28,32)(H,26,27,31)/b18-16-