| SpectraBase Spectrum ID |
1Fw9CQvg2Y4 |
| Name |
({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid |
| Alternate Name(s) |
2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylethanoic acid
2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetic acid
2-[[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-8-purinyl]thio]acetic acid
2-[[2,6-diketo-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]purin-8-yl]thio]acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H15F3N4O4S |
| InChI |
InChI=1S/C17H15F3N4O4S/c1-22-13-12(14(27)23(2)16(22)28)24(15(21-13)29-8-11(25)26)7-9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,25,26) |
| InChIKey |
NBILXXNSGNHLEZ-UHFFFAOYSA-N |
| Molecular Weight |
428.386 g/mol |
| SMILES |
OC(CSc1nc2c([n]1Cc1cc(C(F)(F)F)ccc1)C(=O)N(C(N2C)=O)C)=O |
| SPLASH |
splash10-0a6r-6930000000-20799f1b364f1ebe493f |
| Wiley ID |
1436949 |
![({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid](/api/spectrum/1Fw9CQvg2Y4/structure.png?h=300&w=458 "({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid")
