| SpectraBase Spectrum ID |
AlB7Orj5OW5 |
| Name |
2-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1-ylmethyl)-benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H13N5O2 |
| InChI |
InChI=1S/C15H13N5O2/c1-18-9-17-13-12(18)14(21)20(15(22)19(13)2)8-11-6-4-3-5-10(11)7-16/h3-6,9H,8H2,1-2H3 |
| InChIKey |
PFIJFZZCPZCAJM-UHFFFAOYSA-N |
| Molecular Weight |
295.302 g/mol |
| SMILES |
c1ccc(CN2C(N(C)c3c(C2=O)[n](cn3)C)=O)c(C#N)c1 |
| SPLASH |
splash10-02ta-7920000000-2a6255932e73b7af14b0 |
| Synonyms |
2-[(2,6-diketo-3,7-dimethyl-purin-1-yl)methyl]benzonitrile
2-[(3,7-dimethyl-2,6-dioxo-1-purinyl)methyl]benzonitrile
2-[(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)methyl]benzonitrile
2-[(3,7-dimethyl-2,6-dioxo-purin-1-yl)methyl]benzonitrile
2-[[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]methyl]benzenecarbonitrile |
| Wiley ID |
1465625 |
![benzonitrile, 2-[(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)methyl]-](/api/spectrum/AlB7Orj5OW5/structure.png?h=300&w=458 "benzonitrile, 2-[(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)methyl]-")
