| SpectraBase Spectrum ID |
8k2QCkbkHWD |
| Name |
Benzoic acid, 4-(6,7-dihydro-2-methyl-6-oxo-7-phenyl-1H-purin-1-yl)-, ethyl ester |
| CAS Registry Number |
83325-17-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H18N4O3 |
| InChI |
InChI=1S/C21H18N4O3/c1-3-28-21(27)15-9-11-17(12-10-15)25-14(2)23-19-18(20(25)26)24(13-22-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3 |
| InChIKey |
QXTYAJOBRPTYGD-UHFFFAOYSA-N |
| Molecular Weight |
374.400 g/mol |
| SMILES |
c12c(N=C(N(C2=O)c2ccc(C(=O)OCC)cc2)C)nc[n]1-c1ccccc1 |
| SPLASH |
splash10-00di-1009000000-8f66d5ff18a8307b8ac5 |
| Source of Spectrum |
F-38-1439-0 |
| Synonyms |
1,7-Dihydro-1-(4-carbethoxyphenyl)-2-methyl-7-phenyl-6H-purin-6-one
Ethyl 4-(2-methyl-6-oxo-7-phenyl-6,7-dihydro-1H-purin-1-yl)benzoate |
| Wiley ID |
1356629 |
