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138524-02-4 | 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-8-(1-methylethoxy)-
CAS No: 138524-02-4 Catalog No: AG0019DL MDL No:
Product Description
Catalog Number:
AG0019DL
Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-8-(1-methylethoxy)-
CAS Number:
138524-02-4
Molecular Formula:
C11H16N4O3
Molecular Weight:
252.2697
IUPAC Name:
1,3,9-trimethyl-8-propan-2-yloxypurine-2,6-dione
InChI:
InChI=1S/C11H16N4O3/c1-6(2)18-10-12-7-8(13(10)3)14(4)11(17)15(5)9(7)16/h6H,1-5H3
InChI Key:
DFDBWJFHLTUVNG-UHFFFAOYSA-N
SMILES:
CC(Oc1nc2c(n1C)n(C)c(=O)n(c2=O)C)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.274g/mol
Monoisotopic Mass:
252.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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