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1763-44-6 | 9H-Purin-2-amine, 6-[[(2-fluorophenyl)methyl]thio]-9-(2-methylpropyl)-
CAS No: 1763-44-6 Catalog No: AG0024KD MDL No:
Product Description
Catalog Number:
AG0024KD
Chemical Name:
9H-Purin-2-amine, 6-[[(2-fluorophenyl)methyl]thio]-9-(2-methylpropyl)-
CAS Number:
1763-44-6
Molecular Formula:
C16H18FN5S
Molecular Weight:
331.4110
IUPAC Name:
6-[(2-fluorophenyl)methylsulfanyl]-9-(2-methylpropyl)purin-2-amine
InChI:
InChI=1S/C16H18FN5S/c1-10(2)7-22-9-19-13-14(22)20-16(18)21-15(13)23-8-11-5-3-4-6-12(11)17/h3-6,9-10H,7-8H2,1-2H3,(H2,18,20,21)
InChI Key:
NYTCUUIHCKBEIE-UHFFFAOYSA-N
SMILES:
CC(Cn1cnc2c1nc(N)nc2SCc1ccccc1F)C
NSC Number:
48720
Properties
Complexity:
386
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:
5
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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