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1581-23-3 | 9H-Purin-2-amine, 9-butyl-6-[[(2-fluorophenyl)methyl]thio]-
CAS No: 1581-23-3 Catalog No: AG001PZR MDL No:
Product Description
Catalog Number:
AG001PZR
Chemical Name:
9H-Purin-2-amine, 9-butyl-6-[[(2-fluorophenyl)methyl]thio]-
CAS Number:
1581-23-3
Molecular Formula:
C16H18FN5S
Molecular Weight:
331.4110
IUPAC Name:
9-butyl-6-[(2-fluorophenyl)methylsulfanyl]purin-2-amine
InChI:
InChI=1S/C16H18FN5S/c1-2-3-8-22-10-19-13-14(22)20-16(18)21-15(13)23-9-11-6-4-5-7-12(11)17/h4-7,10H,2-3,8-9H2,1H3,(H2,18,20,21)
InChI Key:
FTJVCADXPPWKPE-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1nc(N)nc2SCc1ccccc1F
NSC Number:
49818
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.413g/mol
Monoisotopic Mass:
331.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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