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15923-50-9 | 9H-Purine, 9-butyl-6-(octylthio)-
CAS No: 15923-50-9 Catalog No: AG001QKW MDL No:
Product Description
Catalog Number:
AG001QKW
Chemical Name:
9H-Purine, 9-butyl-6-(octylthio)-
CAS Number:
15923-50-9
Molecular Formula:
C17H28N4S
Molecular Weight:
320.4960
IUPAC Name:
9-butyl-6-octylsulfanylpurine
InChI:
InChI=1S/C17H28N4S/c1-3-5-7-8-9-10-12-22-17-15-16(18-13-19-17)21(14-20-15)11-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
NVPJDDPNMWHPHC-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1ncnc2c1ncn2CCCC
NSC Number:
83694
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.203g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.499g/mol
Monoisotopic Mass:
320.203g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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