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132560-13-5 | 1H-Purine-2,6-dione, 3-(cyclohexylmethyl)-3,9-dihydro-1,8-dimethyl-
CAS No: 132560-13-5 Catalog No: AG0010U0 MDL No:
Product Description
Catalog Number:
AG0010U0
Chemical Name:
1H-Purine-2,6-dione, 3-(cyclohexylmethyl)-3,9-dihydro-1,8-dimethyl-
CAS Number:
132560-13-5
Molecular Formula:
C14H20N4O2
Molecular Weight:
276.3342
IUPAC Name:
3-(cyclohexylmethyl)-1,8-dimethyl-7H-purine-2,6-dione
InChI:
InChI=1S/C14H20N4O2/c1-9-15-11-12(16-9)18(14(20)17(2)13(11)19)8-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,15,16)
InChI Key:
GZDFOOAFMQSYOV-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)n(CC1CCCCC1)c(=O)n(c2=O)C
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:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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