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9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine

9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine structure

CAS No:
94093-92-2
Formula:
C16H18N6O2S
Chemical Name:
9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine
Synonyms:
MLS002608546;94093-92-2;NSC43411;CHEMBL2131917;DTXSID00285991;HMS3091G04;ZINC1676146;NSC-43411;SMR001527293;9-Butyl-6-((4-nitrobenzyl)thio)-9H-purin-2-amine

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9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine Basic Attributes

Molecular Weight：

358.4 g/mol

Exact Mass：

358.12119501 g/mol

NSC Number：

43411

DSSTox ID：

DTXSID00285991

Characteristics

PSA：

141 Å²

Computed Properties

Molecular Weight:358.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:358.12119501
Monoisotopic Mass:358.12119501
Topological Polar Surface Area:141
Heavy Atom Count:25
Complexity:443
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9-butyl-6-[(4-nitrophenyl)methylsulfanyl]purin-2-amine

Basic Attributes
Characteristics
Computed Properties

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