| SpectraBase Spectrum ID |
Gh8EYPkDxbx |
| Name |
1H-Purine-2,6-dione,3,7-dihydro-3-methyl-8-(4-ethoxycarbonylphenyl)aminomethyl |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.128054043 u |
| Formula |
C16H17N5O4 |
| InChI |
InChI=1S/C16H17N5O4/c1-3-25-15(23)9-4-6-10(7-5-9)17-8-11-18-12-13(19-11)21(2)16(24)20-14(12)22/h4-7,17H,3,8H2,1-2H3,(H,18,19)(H,20,22,24) |
| InChIKey |
BDKQYGLYNPBZHC-UHFFFAOYSA-N |
| Molecular Weight |
343.343 g/mol |
| SMILES |
C1(NC(C2=C(N1C)N=C(N2)CNC1=CC=C(C=C1)C(=O)OCC)=O)=O |
