| SpectraBase Spectrum ID |
DF219HmzwSe |
| Name |
2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23N9O6 |
| InChI |
InChI=1S/C23H23N9O6/c1-6-38-19(35)11-9-7-8-10-12(11)32(20-24-13-15(26-20)28(2)22(36)30(4)17(13)33)21-25-14-16(27-21)29(3)23(37)31(5)18(14)34/h7-10H,6H2,1-5H3,(H,24,26)(H,25,27) |
| InChIKey |
SGKJGQMLOWPKDH-UHFFFAOYSA-N |
| Molecular Weight |
521.494 g/mol |
| SMILES |
[nH]1c(N(c2nc3N(C(N(C(c3[nH]2)=O)C)=O)C)c2c(C(=O)OCC)cccc2)nc2c1C(=O)N(C(N2C)=O)C |
| SPLASH |
splash10-004i-9000010000-728e56a793f7ea60d562 |
| Source of Spectrum |
Y-32-945-12 |
| Synonyms |
2-[bis(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]benzoic acid ethyl ester
ethyl 2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoate
ethyl 2-[bis[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]benzoate |
| Wiley ID |
1402099 |
![2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoic acid ethyl ester](/api/spectrum/DF219HmzwSe/structure.png?h=300&w=458 "2-[bis(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]benzoic acid ethyl ester")
