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132940-35-3 | 1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-3-methyl-1-propyl-
CAS No: 132940-35-3 Catalog No: AG0011FF MDL No:
Product Description
Catalog Number:
AG0011FF
Chemical Name:
1H-Purine-2,6-dione, 8-cyclopentyl-3,9-dihydro-3-methyl-1-propyl-
CAS Number:
132940-35-3
Molecular Formula:
C14H20N4O2
Molecular Weight:
276.3342
IUPAC Name:
8-cyclopentyl-3-methyl-1-propyl-7H-purine-2,6-dione
InChI:
InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
InChI Key:
JHUUOKWXDAVQFO-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c2nc([nH]c2n(c1=O)C)C1CCCC1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.34g/mol
Monoisotopic Mass:
276.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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