| SpectraBase Spectrum ID |
2rTpuNCBIQq |
| Name |
4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester |
| Alternate Name(s) |
4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester
methyl 4-[2-(2-amino-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate
methyl 4-[2-(2-azanyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15N3O3S |
| InChI |
InChI=1S/C16H15N3O3S/c1-22-15(21)10-5-2-9(3-6-10)4-7-11-8-23-14-12(11)13(20)18-16(17)19-14/h2-3,5-6,8H,4,7H2,1H3,(H3,17,18,19,20) |
| InChIKey |
CBFZYXGHOSGAFJ-UHFFFAOYSA-N |
| Molecular Weight |
329.374 g/mol |
| SMILES |
Nc1nc(c2c(n1)scc2CCc1ccc(C(=O)OC)cc1)O |
| SPLASH |
splash10-001i-0904000000-30e288cf71f07f1dfc03 |
| Source of Spectrum |
H1-43-356-17 |
| Wiley ID |
757809 |
![4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester](/api/spectrum/2rTpuNCBIQq/structure.png?h=300&w=458 "4-[2-(2-amino-4-keto-3H-thieno[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid methyl ester")
