9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
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![9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/196ea769527145caa9807f3c774ecf24.png "9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine")
9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
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CAS No:
1581-22-2
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Formula:
C16H18FN5S
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Chemical Name:
9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
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Synonyms:
MLS002667310;NSC49819;CHEMBL1736181;CTK4C9592;DTXSID50287243;HMS3089I15;ZINC1681635;NSC-49819;SMR001557078;9-Butyl-6-((3-fluorobenzyl)thio)-9H-purin-2-amine
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CAS No:
9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine Basic Attributes
331.413
331.127
49819
DTXSID50287243
2933990090
Characteristics
94.9
3.3
1.36±0.1 g/cm3(Predicted)
558.6±60.0 °C(Predicted)
291.6ºC
1.674
1.64E-12mmHg at 25°C
Computed Properties
Molecular Weight:331.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:331.12669493
Monoisotopic Mass:331.12669493
Topological Polar Surface Area:94.9
Heavy Atom Count:23
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 9-butyl-6-[(3-fluorophenyl)methylsulfanyl]purin-2-amine
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