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123367-64-6 | 1H-Purine-2,6-dione, 9-amino-8-bromo-3,9-dihydro-1,3-dimethyl-
CAS No: 123367-64-6 Catalog No: AG000KGD MDL No:
Product Description
Catalog Number:
AG000KGD
Chemical Name:
1H-Purine-2,6-dione, 9-amino-8-bromo-3,9-dihydro-1,3-dimethyl-
CAS Number:
123367-64-6
Molecular Formula:
C7H8BrN5O2
Molecular Weight:
274.0747
IUPAC Name:
9-amino-8-bromo-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C7H8BrN5O2/c1-11-4-3(10-6(8)13(4)9)5(14)12(2)7(11)15/h9H2,1-2H3
InChI Key:
LKQFQKWSNOJGMT-UHFFFAOYSA-N
SMILES:
Nn1c(Br)nc2c1n(C)c(=O)n(c2=O)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.986g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.078g/mol
Monoisotopic Mass:
272.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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