| SpectraBase Spectrum ID |
GbfZtJoN5ye |
| Name |
Benzoic acid, 4-[[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.138618727 u |
| Formula |
C18H19N5O5 |
| InChI |
InChI=1S/C18H19N5O5/c1-4-28-17(26)11-5-7-12(8-6-11)20-13(24)9-23-10-19-15-14(23)16(25)22(3)18(27)21(15)2/h5-8,10H,4,9H2,1-3H3,(H,20,24) |
| InChIKey |
GQWZRDZOFWCBKK-UHFFFAOYSA-N |
| Molecular Weight |
385.380 g/mol |
| SMILES |
N(C(CN1C2=C(N(C(N(C)C2=O)=O)C)N=C1)=O)C1=CC=C(C(=O)OCC)C=C1 |
![benzoic acid, 4-[[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]amino]-, ethyl ester](/api/spectrum/GbfZtJoN5ye/structure.png?h=300&w=458 "benzoic acid, 4-[[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl]amino]-, ethyl ester")
