| SpectraBase Spectrum ID |
9ehTac8LrCi |
| Name |
2-Thiophenecarbaldehyde [7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.072800814 u |
| Formula |
C19H16ClFN6O2S |
| InChI |
InChI=1S/C19H16ClFN6O2S/c1-25-16-15(17(28)26(2)19(25)29)27(10-12-13(20)6-3-7-14(12)21)18(23-16)24-22-9-11-5-4-8-30-11/h3-9H,10H2,1-2H3,(H,23,24)/b22-9+ |
| InChIKey |
LXMBIZNJQRGSFC-LSFURLLWSA-N |
| Molecular Weight |
446.888 g/mol |
| SMILES |
N(\N=C\C=1SC=CC1)C1=NC2=C(N1CC1=C(F)C=CC=C1Cl)C(=O)N(C(N2C)=O)C |
![2-thiophenecarbaldehyde [7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone](/api/spectrum/9ehTac8LrCi/structure.png?h=300&w=458 "2-thiophenecarbaldehyde [7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone")
