| SpectraBase Spectrum ID |
7PA43djLCQD |
| Name |
3-((4-Amino-5-mercapto-4H-1,2,4-triazol-3-yl)methoxy)-6-iodo-2-phenylquinazolin-4(3H)-one |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13IN6O2S |
| InChI |
InChI=1S/C17H13IN6O2S/c18-11-6-7-13-12(8-11)16(25)24(15(20-13)10-4-2-1-3-5-10)26-9-14-21-22-17(27)23(14)19/h1-8H,9,19H2,(H,22,27) |
| InChIKey |
IOQXTCGHHPZGEP-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.4096 |
| Molecular Weight |
492.295 g/mol |
| SMILES |
N[n]1c(nnc1CON1C(=Nc2c(C1=O)cc(cc2)I)c1ccccc1)S |
| SPLASH |
splash10-054k-5819000000-ea4ac3400e32f5adbe92 |
| Source of Spectrum |
Y-57-3904-16 |
| Wiley ID |
1859876 |
