N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]prop-2-ynyl]-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]prop-2-ynyl]-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoro-acetamide CAS Name: N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]prop-2-ynyl]-2,2,2-trifluoroacetamide IUPAC Name: N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide Traditional Name: N-[3-[1-[(2R,4S,5R)-5-(acetamidomethyl)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoro-acetamide Formula: C17H19F3N4O7 MolecularWeight: 448.35057

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1(C(CC(O1)N2C=C(C(=O)NC2=O)C#CCNC(=O)C(F)(F)F)O)CO

Isomeric SMILES

CC(=O)NC[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C#CCNC(=O)C(F)(F)F)O)CO

InChI

InChI=1S/C17H19F3N4O7/c1-9(26)22-7-16(8-25)11(27)5-12(31-16)24-6-10(13(28)23-15(24)30)3-2-4-21-14(29)17(18,19)20/h6,11-12,25,27H,4-5,7-8H2,1H3,(H,21,29)(H,22,26)(H,23,28,30)/t11-,12+,16+/m0/s1