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15923-49-6 | 9H-Purine, 9-butyl-6-(cyclopentylthio)-
CAS No: 15923-49-6 Catalog No: AG001QKX MDL No:
Product Description
Catalog Number:
AG001QKX
Chemical Name:
9H-Purine, 9-butyl-6-(cyclopentylthio)-
CAS Number:
15923-49-6
Molecular Formula:
C14H20N4S
Molecular Weight:
276.4004
IUPAC Name:
9-butyl-6-cyclopentylsulfanylpurine
InChI:
InChI=1S/C14H20N4S/c1-2-3-8-18-10-17-12-13(18)15-9-16-14(12)19-11-6-4-5-7-11/h9-11H,2-8H2,1H3
InChI Key:
LUDYBLLLMIXVKJ-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1ncnc2SC1CCCC1
NSC Number:
83115
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.402g/mol
Monoisotopic Mass:
276.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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