| SpectraBase Spectrum ID |
9OfvtuWs0m2 |
| Name |
8-((p-nitrobenzoyl)methylthio)-3-methylxanthine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11N5O5S |
| InChI |
InChI=1S/C14H11N5O5S/c1-18-11-10(12(21)17-14(18)22)15-13(16-11)25-6-9(20)7-2-4-8(5-3-7)19(23)24/h2-5H,6H2,1H3,(H,15,16)(H,17,21,22) |
| InChIKey |
JPENYIOLFYSXCB-UHFFFAOYSA-N |
| Molecular Weight |
361.332 g/mol |
| SMILES |
N1C(c2c(N(C1=O)C)nc(SCC(c1ccc(N(=O)=O)cc1)=O)[nH]2)=O |
| SPLASH |
splash10-0ik9-2941000000-c555471f1b5fda3e8498 |
| Source of Spectrum |
HC-23-1231-0 |
| Synonyms |
8-[(p-Nitrobenzoyl)methylthio]-3-methylxanthine
3-Methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione |
| Wiley ID |
1348816 |
