| SpectraBase Spectrum ID |
79uXrbD7SZU |
| Name |
4-Amino-10-(4'-nitrobenzylthio)-5H-pyrimido[4,5-c]-(2)-benzazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H15N5O2S |
| InChI |
InChI=1S/C19H15N5O2S/c20-17-16-9-13-3-1-2-4-15(13)19(23-18(16)22-11-21-17)27-10-12-5-7-14(8-6-12)24(25)26/h1-8,11H,9-10H2,(H2,20,21,22) |
| InChIKey |
NJOHWBJZUFBPQD-UHFFFAOYSA-N |
| Molecular Weight |
377.422 g/mol |
| SMILES |
Nc1c2c(N=C(c3c(cccc3)C2)SCc2ccc(N(=O)=O)cc2)ncn1 |
| SPLASH |
splash10-0a6r-0096000000-50ddae2c7399cdc02d99 |
| Source of Spectrum |
D8-326-864-22 |
| Synonyms |
10-[(4-nitrobenzyl)sulfanyl]-5H-pyrimido[4,5-c][2]benzazepin-4-amine
10-[(4-nitrobenzyl)sulfanyl]-5H-pyrimido[4,5-c][2]benzazepin-4-ylamine |
| Wiley ID |
1514897 |
![4-Amino-10-(4'-nitrobenzylthio)-5H-pyrimido[4,5-c]-(2)-benzazepine](/api/spectrum/79uXrbD7SZU/structure.png?h=300&w=458 "4-Amino-10-(4'-nitrobenzylthio)-5H-pyrimido[4,5-c]-(2)-benzazepine")
