| SpectraBase Spectrum ID |
9r2XFuCCnJr |
| Name |
4-Oxo-4-(3-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]anilino)butanoic acid |
| CAS Registry Number |
212687-43-9 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21N5O5 |
| InChI |
InChI=1S/C20H21N5O5/c1-23-14(22-18-17(23)19(29)25(3)20(30)24(18)2)8-7-12-5-4-6-13(11-12)21-15(26)9-10-16(27)28/h4-8,11H,9-10H2,1-3H3,(H,21,26)(H,27,28)/b8-7+ |
| InChIKey |
JPNMOUGHIUTCRP-BQYQJAHWSA-N |
| Molecular Weight |
411.418 g/mol |
| SMILES |
N(c1cccc(\C=C\c2[n](c3C(N(C(N(c3n2)C)=O)C)=O)C)c1)C(CCC(O)=O)=O |
| SPLASH |
splash10-08fr-2069000000-b87899bf93a5e6360d32 |
| Source of Spectrum |
NP-14-6960-0 |
| Synonyms |
4-Oxo-4-[3-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)ethenyl]anilino]butanoic acid
4-Oxo-4-[3-[(E)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethenyl]anilino]butanoic acid
4-Oxo-4-[3-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)vinyl]anilino]butanoic acid
4-Oxidanylidene-4-[[3-[(E)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethenyl]phenyl]amino]butanoic acid |
| Wiley ID |
1111927 |
![4-Oxo-4-(3-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]anilino)butanoic acid](/api/spectrum/9r2XFuCCnJr/structure.png?h=300&w=458 "4-Oxo-4-(3-[(E)-2-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethenyl]anilino)butanoic acid")
