Catalog Number:
AG00954G
Chemical Name:
Nitd008
CAS Number:
1044589-82-3
Molecular Formula:
C13H14N4O4
Molecular Weight:
290.2747
MDL Number:
MFCD27952796
IUPAC Name:
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
InChI Key:
NKRAIOQPSBRMOV-NRMKKVEVSA-N
SMILES:
OC[C@H]1O[C@H]([C@@]([C@@H]1O)(O)C#C)n1ccc2c1ncnc2N
