| SpectraBase Spectrum ID |
1DoNF5lIt9k |
| Name |
[8-(Benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid |
| 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/c1-19-13-12(14(24)20(2)16(19)25)21(9-11(22)23)15(18-13)17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23) |
| InChIKey |
AIVYFKOILMDFPM-UHFFFAOYSA-N |
| Molecular Weight |
343.343 g/mol |
| SMILES |
OC(CN1C2=C(N=C1NCC1=CC=CC=C1)N(C(N(C2=O)C)=O)C)=O |
![[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid](/api/spectrum/1DoNF5lIt9k/structure.png?h=300&w=458 "[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid")
