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23043-88-1 | 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-
CAS No: 23043-88-1 Catalog No: AG002LZT MDL No:
Product Description
Catalog Number:
AG002LZT
Chemical Name:
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-1,3-dimethyl-
CAS Number:
23043-88-1
Molecular Formula:
C9H12N4O2
Molecular Weight:
208.2172
IUPAC Name:
7-ethyl-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C9H12N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,4H2,1-3H3
InChI Key:
RPOQNHMXOPWCEK-UHFFFAOYSA-N
SMILES:
CCn1cnc2c1c(=O)n(C)c(=O)n2C
UNII:
4EZ53T6D01
NSC Number:
515485
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.221g/mol
Monoisotopic Mass:
208.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Stability studies of selected doping agents in urine: caffeine. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20031005 |
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