| SpectraBase Spectrum ID |
H9BPeauw2sc |
| Name |
3-Methyl-xanthine |
| CAS Registry Number |
1076-22-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H6N4O2 |
| InChI |
InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12) |
| InChIKey |
GMSNIKWWOQHZGF-UHFFFAOYSA-N |
| Molecular Weight |
166.140 g/mol |
| SMILES |
N1C(c2c(nc[nH]2)N(C)C1=O)=O |
| SPLASH |
splash10-014i-9500000000-9afcbd8a2df4aa3d5bc9 |
| Source of Spectrum |
O-3-182-2 |
| Synonyms |
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
3-Methyl-3,9-dihydro-1H-purine-2,6-dione
3 MX
3,7-Dihydro-3-methyl-1H-purine-2,6-dione
3-Methyl-3,9-dihydro-purine-2,6-dione
3-Methyl-7H-purine-2,6-dione
3-Methyl-7H-purine-2,6-quinone
3-Methylxanthine
Xanthine, 3-methyl-
CCRIS 5817
EINECS 214-058-1
NSC 515466 |
| Wiley ID |
14186 |
