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Home > Other Building Blocks > 1021-65-4
1021-65-4 | 1H-Purine-2,6-dione, 7-butyl-3,7-dihydro-1,3-dimethyl-
CAS No: 1021-65-4 Catalog No: AG0006MI MDL No:
Product Description
Catalog Number:
AG0006MI
Chemical Name:
1H-Purine-2,6-dione, 7-butyl-3,7-dihydro-1,3-dimethyl-
CAS Number:
1021-65-4
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
IUPAC Name:
7-butyl-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3
InChI Key:
CPRWWXKLQNLTSZ-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1c(=O)n(C)c(=O)n2C
UNII:
N2R6WU63DY
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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