Catalog Number:
AG000H24
Chemical Name:
Tfa-ap-du
CAS Number:
115899-40-6
Molecular Formula:
C14H14F3N3O6
Molecular Weight:
377.2727
MDL Number:
MFCD28134648
IUPAC Name:
2,2,2-trifluoro-N-[3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]acetamide
InChI:
InChI=1S/C14H14F3N3O6/c15-14(16,17)12(24)18-3-1-2-7-5-20(13(25)19-11(7)23)10-4-8(22)9(6-21)26-10/h5,8-10,21-22H,3-4,6H2,(H,18,24)(H,19,23,25)/t8-,9+,10+/m0/s1
InChI Key:
HCKMZBZCHQQZRJ-IVZWLZJFSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C#CCNC(=O)C(F)(F)F)c(=O)[nH]c1=O
