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26351-04-2 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-d3)-
CAS No: 26351-04-2 Catalog No: AG002SVG MDL No:
Product Description
Catalog Number:
AG002SVG
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(methyl-d3)-
CAS Number:
26351-04-2
Molecular Formula:
C8H7D3N4O2
Molecular Weight:
197.2091
IUPAC Name:
1,3-dimethyl-7-(trideuteriomethyl)purine-2,6-dione
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1D3
InChI Key:
RYYVLZVUVIJVGH-FIBGUPNXSA-N
SMILES:
O=c1n(C)c(=O)n(c2c1n(cn2)C([2H])([2H])[2H])C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
197.212g/mol
Monoisotopic Mass:
197.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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