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132186-65-3 | 1H-Purine-2,6-dione, 8-amino-1,3-bis(cyclobutylmethyl)-3,9-dihydro-
CAS No: 132186-65-3 Catalog No: AG0010C4 MDL No:
Product Description
Catalog Number:
AG0010C4
Chemical Name:
1H-Purine-2,6-dione, 8-amino-1,3-bis(cyclobutylmethyl)-3,9-dihydro-
CAS Number:
132186-65-3
Molecular Formula:
C15H21N5O2
Molecular Weight:
303.3595
IUPAC Name:
8-amino-1,3-bis(cyclobutylmethyl)-7H-purine-2,6-dione
InChI:
InChI=1S/C15H21N5O2/c16-14-17-11-12(18-14)19(7-9-3-1-4-9)15(22)20(13(11)21)8-10-5-2-6-10/h9-10H,1-8H2,(H3,16,17,18)
InChI Key:
WQBKKJIJEGGRNX-UHFFFAOYSA-N
SMILES:
Nc1[nH]c2c(n1)c(=O)n(c(=O)n2CC1CCC1)CC1CCC1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.17g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
303.366g/mol
Monoisotopic Mass:
303.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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