| SpectraBase Spectrum ID |
2YFyFmyYBal |
| Name |
Acetic acid, [[(2,3,4,10-tetrahydro-3,7,8,10-tetramethyl-2,4-dioxobenzo[g]pteridin -6-yl)methyl]dithio]-, methyl ester |
| Alternate Name(s) |
6-(((carbomethoxymethyl)dithio)methyl)-3-methyllumiflavin
Benzo[g]pteridine, acetic acid deriv.
methyl {[(3,7,8,10-tetramethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridin-6-yl)methyl]disulfanyl}acetate |
| CAS Registry Number |
89322-32-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N4O4S2 |
| InChI |
InChI=1S/C18H20N4O4S2/c1-9-6-12-14(11(10(9)2)7-27-28-8-13(23)26-5)19-15-16(21(12)3)20-18(25)22(4)17(15)24/h6H,7-8H2,1-5H3 |
| InChIKey |
FXNGVOBJOBGGPY-UHFFFAOYSA-N |
| Molecular Weight |
420.502 g/mol |
| SMILES |
C=12C(=NC(N(C2=O)C)=O)N(C)c2c(N1)c(c(c(C)c2)C)CSSCC(=O)OC |
| SPLASH |
splash10-014i-0009000000-50d3b44e910b9c6637f6 |
| Source of Spectrum |
C-106-3312-0 |
| Wiley ID |
1377792 |
![Acetic acid, [[(2,3,4,10-tetrahydro-3,7,8,10-tetramethyl-2,4-dioxobenzo[g]pteridin -6-yl)methyl]dithio]-, methyl ester](/api/spectrum/2YFyFmyYBal/structure.png?h=300&w=458 "Acetic acid, [[(2,3,4,10-tetrahydro-3,7,8,10-tetramethyl-2,4-dioxobenzo[g]pteridin -6-yl)methyl]dithio]-, methyl ester")
