6-[(2-nitrophenyl)methylsulfanyl]-7H-purine
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![6-[(2-nitrophenyl)methylsulfanyl]-7H-purine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/62e5a591f7ff4277a75a41bc3c2845b3.png "6-[(2-nitrophenyl)methylsulfanyl]-7H-purine")
6-[(2-nitrophenyl)methylsulfanyl]-7H-purine
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CAS No:
5069-63-6
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Formula:
C12H9N5O2S
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Chemical Name:
6-[(2-nitrophenyl)methylsulfanyl]-7H-purine
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Synonyms:
Purine, 6-(o-nitrobenzylthio)-;AX 25;Purine, 6-((o-nitrobenzyl)thio)-;5069-63-6;6-[(2-nitrophenyl)methylsulfanyl]-7H-purine;Purine, 6-[(o-nitrobenzyl)thio]-;NSC 39334;6-((o-Nitrobenzyl)thio)purine;BRN 0560171;SCHEMBL15871500;DTXSID60198730;NSC39334;ZINC8615506;NSC-39334;AKOS033174832;MCULE-6760643823;6-{[(2-nitrophenyl)methyl]sulfanyl}-9H-purine;Z1227792738
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CAS No:
6-[(2-nitrophenyl)methylsulfanyl]-7H-purine Basic Attributes
287.30 g/mol
287.04769572 g/mol
39334
DTXSID60198730
Computed Properties
Molecular Weight:287.30
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:287.04769572
Monoisotopic Mass:287.04769572
Topological Polar Surface Area:126
Heavy Atom Count:20
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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