| SpectraBase Spectrum ID |
5s9XJCt1nMr |
| Name |
4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N4O3 |
| InChI |
InChI=1S/C18H22N4O3/c1-3-12(14-15(19)21-18(20)22-16(14)23)8-5-11-6-9-13(10-7-11)17(24)25-4-2/h3,6-7,9-10,12H,1,4-5,8H2,2H3,(H5,19,20,21,22,23) |
| InChIKey |
FGBZUJXPLVUXJQ-UHFFFAOYSA-N |
| Molecular Weight |
342.399 g/mol |
| SMILES |
N1C(=NC(=C(C(C=C)CCc2ccc(C(=O)OCC)cc2)C1=O)N)N |
| SPLASH |
splash10-0udi-0059000000-97cf7f9534dd5b725013 |
| Source of Spectrum |
SK-28-3891-8 |
| Synonyms |
4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester
Ethyl 4-[3-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate
Ethyl 4-[3-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]pent-4-enyl]benzoate |
| Wiley ID |
880273 |
![4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester](/api/spectrum/5s9XJCt1nMr/structure.png?h=300&w=458 "4-[3-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)pent-4-enyl]benzoic acid ethyl ester")
