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2099-74-3 | 1H-Purine-2,6-dione, 8-butoxy-3,7-dihydro-1,3,7-trimethyl-
CAS No: 2099-74-3 Catalog No: AG002KHA MDL No:
Product Description
Catalog Number:
AG002KHA
Chemical Name:
1H-Purine-2,6-dione, 8-butoxy-3,7-dihydro-1,3,7-trimethyl-
CAS Number:
2099-74-3
Molecular Formula:
C12H18N4O3
Molecular Weight:
266.2963
IUPAC Name:
8-butoxy-1,3,7-trimethylpurine-2,6-dione
InChI:
InChI=1S/C12H18N4O3/c1-5-6-7-19-11-13-9-8(14(11)2)10(17)16(4)12(18)15(9)3/h5-7H2,1-4H3
InChI Key:
RDLZNCHACVMZLT-UHFFFAOYSA-N
SMILES:
CCCCOc1nc2c(n1C)c(=O)n(c(=O)n2C)C
NSC Number:
11275
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.138g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.301g/mol
Monoisotopic Mass:
266.138g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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