| SpectraBase Spectrum ID |
9rz4bZnz2oe |
| Name |
(S)-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOIC-ACID |
| Compound Number |
5 |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C21H20FN7O5 |
| InChI |
InChI=1S/C21H20FN7O5/c1-12-8-18(28-19(26-12)13(10-23)11-25-28)24-7-3-2-4-17(21(31)32)27-20(30)15-6-5-14(29(33)34)9-16(15)22/h5-6,8-9,11,17,24H,2-4,7H2,1H3,(H,27,30)(H,31,32)/t17-/m0/s1 |
| InChIKey |
RSRORSYFRLGMOA-KRWDZBQOSA-N |
| Literature Reference Author |
J.XU,H.LIU,Y.HE,R.DING,X.WANG,M.FENG,S.ZHANG,Y.CHEN,S.LI,M.Z
HAO,Y.LI,C.QI,Y.DANG |
| Literature Reference Citation |
MOLECULES,17,3774(2012) |
| Literature Reference DOI |
10.3390/molecules17043774 |
| Molecular Weight |
469.432 g/mol |
| Sample ID |
1849 |
| Solvent |
DMSO-D6 |
![(S)-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOIC-ACID](/api/spectrum/9rz4bZnz2oe/structure.png?h=300&w=458 "(S)-6-(3-CYANO-5-METHYLPYRAZOLO-[1,5-A]-PYRIMIDIN-7-YLAMINO)-2-(2-FLUORO-4-NITROBENZAMIDE)-HEXANOIC-ACID")
