| SpectraBase Spectrum ID |
Jp6e2dDdT0G |
| Name |
Acetic acid, [[(3,4,5,10-tetrahydro-3,10-dimethyl-2,4-dioxobenzo[g]pteridin-4a(2H) -yl)methyl]dithio]- |
| Alternate Name(s) |
4a-(((carboxymethyl)dithio)methyl)-4a,5-dihydro-3,10-dimethylisoalloxazine
Benzo[g]pteridine, acetic acid deriv.
{[(3,10-dimethyl-2,4-dioxo-3,4,5,10-tetrahydrobenzo[g]pteridin-4a(2H)-yl)methyl]disulfanyl}acetic acid |
| CAS Registry Number |
89322-33-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16N4O4S2 |
| InChI |
InChI=1S/C15H16N4O4S2/c1-18-10-6-4-3-5-9(10)17-15(8-25-24-7-11(20)21)12(18)16-14(23)19(2)13(15)22/h3-6,17H,7-8H2,1-2H3,(H,20,21) |
| InChIKey |
VUQLSROUZHTLJQ-UHFFFAOYSA-N |
| Molecular Weight |
380.437 g/mol |
| SMILES |
N1c2c(N(C=3C1(CSSCC(=O)O)C(N(C(N3)=O)C)=O)C)cccc2 |
| SPLASH |
splash10-001i-0009000000-f2aea3a7fb34430e3900 |
| Source of Spectrum |
C-106-3312-0 |
| Wiley ID |
1359488 |
![Acetic acid, [[(3,4,5,10-tetrahydro-3,10-dimethyl-2,4-dioxobenzo[g]pteridin-4a(2H) -yl)methyl]dithio]-](/api/spectrum/Jp6e2dDdT0G/structure.png?h=300&w=458 "Acetic acid, [[(3,4,5,10-tetrahydro-3,10-dimethyl-2,4-dioxobenzo[g]pteridin-4a(2H) -yl)methyl]dithio]-")
