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88338-99-2 | 1H-Purine-2,6-dione, 7-(5-chloropentyl)-3,7-dihydro-1,3-dimethyl-
CAS No: 88338-99-2 Catalog No: AG0046WO MDL No:
Product Description
Catalog Number:
AG0046WO
Chemical Name:
1H-Purine-2,6-dione, 7-(5-chloropentyl)-3,7-dihydro-1,3-dimethyl-
CAS Number:
88338-99-2
Molecular Formula:
C12H17ClN4O2
Molecular Weight:
284.7420
IUPAC Name:
7-(5-chloropentyl)-1,3-dimethylpurine-2,6-dione
InChI:
InChI=1S/C12H17ClN4O2/c1-15-10-9(11(18)16(2)12(15)19)17(8-14-10)7-5-3-4-6-13/h8H,3-7H2,1-2H3
InChI Key:
GZFLHIQBEDOWHS-UHFFFAOYSA-N
SMILES:
ClCCCCCn1cnc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.744g/mol
Monoisotopic Mass:
284.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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