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114145-18-5 | 1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-methyl-8-(1-piperidinyl)-
CAS No: 114145-18-5 Catalog No: AG000AOP MDL No:
Product Description
Catalog Number:
AG000AOP
Chemical Name:
1H-Purine-2,6-dione, 7-ethyl-3,7-dihydro-3-methyl-8-(1-piperidinyl)-
CAS Number:
114145-18-5
Molecular Formula:
C13H19N5O2
Molecular Weight:
277.3223
IUPAC Name:
7-ethyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
InChI:
InChI=1S/C13H19N5O2/c1-3-18-9-10(16(2)13(20)15-11(9)19)14-12(18)17-7-5-4-6-8-17/h3-8H2,1-2H3,(H,15,19,20)
InChI Key:
SHNSJUFFDZMWOE-UHFFFAOYSA-N
SMILES:
CCn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCCCC1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.154g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.328g/mol
Monoisotopic Mass:
277.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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