8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
CAS Registry Number®
37789-28-9
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CAS Name
8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dioneMolecular Formula
C8H11N5O2Molecular Mass
209.21Cite this Page
8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=37789-28-9 (retrieved ) (CAS RN: 37789-28-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C8H11N5O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,(H2,9,10)
InChIKey
InChIKey=PQEIUJGJYPUELF-UHFFFAOYSA-N
SMILES
CN1C2=C(C(=O)N(C)C1=O)N(C)C(N)=N2
Canonical SMILES
O=C1C2=C(N=C(N)N2C)N(C(=O)N1C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 8-amino-3,7-dihydro-1,3,7-trimethyl-
- Caffeine, 8-amino-
- 8-Amino-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
- 8-Aminocaffeine
- NSC 11261