| SpectraBase Spectrum ID |
5XUjmsjw9eX |
| Name |
(2Z)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(piperazin-1-yl)2-butenamide |
| Appearance |
Pale-yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22BrN7O |
| InChI |
InChI=1S/C21H22BrN7O/c22-15-3-1-4-16(11-15)27-21-17-12-19(24-13-18(17)25-14-26-21)28-20(30)5-2-8-29-9-6-23-7-10-29/h1-5,11-14,23H,6-10H2,(H,24,28,30)(H,25,26,27)/b5-2- |
| InChIKey |
MCKFLRVPDXYELQ-DJWKRKHSSA-N |
| Instrument Name |
JEOL JMS-700 MStation |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1021/acsmedchemlett.6b00520 |
| Molecular Weight |
468.359 g/mol |
| Reported Formula |
C21H22BrN7O |
| SMILES |
N(C(\C=C/CN1CCNCC1)=O)c1ncc2ncnc(c2c1)Nc1cc(Br)ccc1 |
| SPLASH |
splash10-00lr-0509400000-03f34f311a355084288b |
| Source of Spectrum |
MCS-8-SM3-3 |
| Wiley ID |
1870702 |
![(2Z)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(piperazin-1-yl)2-butenamide](/api/spectrum/5XUjmsjw9eX/structure.png?h=300&w=458 "(2Z)-N-[4-(3-Bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(piperazin-1-yl)2-butenamide")
