| SpectraBase Spectrum ID |
LHeu3PfCdWP |
| Name |
(E)-N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-[4-(2-fluoroethyl)piperazin-1-yl]but-2-enamide |
| Appearance |
Pale-yellow amorphous solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25BrFN7O |
| InChI |
InChI=1S/C23H25BrFN7O/c24-17-3-1-4-18(13-17)29-23-19-14-21(26-15-20(19)27-16-28-23)30-22(33)5-2-7-31-9-11-32(8-6-25)12-10-31/h1-5,13-16H,6-12H2,(H,26,30,33)(H,27,28,29)/b5-2+ |
| InChIKey |
PBCNBUJNOWBQQW-GORDUTHDSA-N |
| Instrument Name |
JEOL JMS-700 MStation |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/acsmedchemlett.6b00520 |
| Molecular Weight |
514.403 g/mol |
| Reported Formula |
C23H25BrFN7O |
| SMILES |
N(C(\C=C\CN1CCN(CC1)CCF)=O)c1ncc2ncnc(c2c1)Nc1cc(Br)ccc1 |
| SPLASH |
splash10-001i-0009000000-fb706ff16993c6ec8e78 |
| Source of Spectrum |
MCS-8-SM4-APP-1 |
| Wiley ID |
1870703 |
![(E)-N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-[4-(2-fluoroethyl)piperazin-1-yl]but-2-enamide](/api/spectrum/LHeu3PfCdWP/structure.png?h=300&w=458 "(E)-N-[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-[4-(2-fluoroethyl)piperazin-1-yl]but-2-enamide")
