| SpectraBase Spectrum ID |
5m5MQHmhbJx |
| Name |
3-Amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-6-(2-thienyl)thieno[2,3-B]pyridine-2-carboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.077361960 u |
| Formula |
C26H18FN3O3S2 |
| InChI |
InChI=1S/C26H18FN3O3S2/c27-16-6-4-15(5-7-16)17-11-18(21-2-1-9-34-21)30-26-22(17)23(28)24(35-26)25(31)29-12-14-3-8-19-20(10-14)33-13-32-19/h1-11H,12-13,28H2,(H,29,31) |
| InChIKey |
IROSIJZGALTHLE-UHFFFAOYSA-N |
| Molecular Weight |
503.566 g/mol |
| SMILES |
NC1=C(C(NCC2=CC=3OCOC3C=C2)=O)SC2=NC(=CC(=C12)C1=CC=C(C=C1)F)C=1SC=CC1 |
![3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide](/api/spectrum/5m5MQHmhbJx/structure.png?h=300&w=458 "3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide")
