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19729-84-1 | 1H-Purine-2,6-dione, 8-ethyl-3,7-dihydro-1,3-dimethyl-7-[2-(1-piperidinyl)ethoxy]-
CAS No: 19729-84-1 Catalog No: AG002APD MDL No:
Product Description
Catalog Number:
AG002APD
Chemical Name:
1H-Purine-2,6-dione, 8-ethyl-3,7-dihydro-1,3-dimethyl-7-[2-(1-piperidinyl)ethoxy]-
CAS Number:
19729-84-1
Molecular Formula:
C16H25N5O3
Molecular Weight:
335.4014
IUPAC Name:
8-ethyl-1,3-dimethyl-7-(2-piperidin-1-ylethoxy)purine-2,6-dione
InChI:
InChI=1S/C16H25N5O3/c1-4-12-17-14-13(15(22)19(3)16(23)18(14)2)21(12)24-11-10-20-8-6-5-7-9-20/h4-11H2,1-3H3
InChI Key:
JNEBFTUYNMCPCB-UHFFFAOYSA-N
SMILES:
CCc1nc2c(n1OCCN1CCCCC1)c(=O)n(c(=O)n2C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.196g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.408g/mol
Monoisotopic Mass:
335.196g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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