| SpectraBase Spectrum ID |
9vItNuMX4a9 |
| Name |
Methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.117155007 u |
| Formula |
C16H16N4O4 |
| InChI |
InChI=1S/C16H16N4O4/c1-18-13-12(14(21)19(2)16(18)23)20(9-17-13)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3 |
| InChIKey |
XSDQSNJZWKXZDV-UHFFFAOYSA-N |
| Molecular Weight |
328.328 g/mol |
| SMILES |
C12=C(C(=O)N(C(N2C)=O)C)N(CC=2C=CC(C(=O)OC)=CC2)C=N1 |
![methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate](/api/spectrum/9vItNuMX4a9/structure.png?h=300&w=458 "methyl 4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]benzoate")
