| SpectraBase Spectrum ID |
54ACfK1CpjB |
| Name |
6-iodo-3-((5-mercapto-1,3,4-oxadiazol-2-yl)methyl)-2-(phenylamino)quinazolin-4(3H)-one |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H12IN5O2S |
| InChI |
InChI=1S/C17H12IN5O2S/c18-10-6-7-13-12(8-10)15(24)23(9-14-21-22-17(26)25-14)16(20-13)19-11-4-2-1-3-5-11/h1-8H,9H2,(H,19,20)(H,22,26) |
| InChIKey |
SBNGPEYBZZWPNV-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP-1000EX |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2953 |
| Molecular Weight |
477.280 g/mol |
| SMILES |
Sc1oc(CN2C(c3c(N=C2Nc2ccccc2)ccc(c3)I)=O)nn1 |
| SPLASH |
splash10-0fb9-1011900000-6f06d99d297a3c48f260 |
| Source of Spectrum |
Y-54-3338-10 |
| Wiley ID |
1878666 |
