SpectraBase Spectrum ID |
EinnLBh7Jgx |
Name |
4-(7-Benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzonitrile |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
371.138224805 u |
Formula |
C21H17N5O2 |
InChI |
InChI=1S/C21H17N5O2/c1-24-19-18(25(14-23-19)12-16-5-3-2-4-6-16)20(27)26(21(24)28)13-17-9-7-15(11-22)8-10-17/h2-10,14H,12-13H2,1H3 |
InChIKey |
JKAUWQXFADGYBZ-UHFFFAOYSA-N |
Molecular Weight |
371.400 g/mol |
SMILES |
C12=C(C(=O)N(C(N2C)=O)CC2=CC=C(C#N)C=C2)N(CC2=CC=CC=C2)C=N1 |