N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester
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![N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/322fd29a98154bdd90024fe32a0ad51a.png "N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester")
N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester
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CAS No:
22181-94-8
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Formula:
C14H19N5O3S
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Chemical Name:
N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester
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Synonyms:
Glycine,N-[1-oxo-5-(9H-purin-6-ylthio)pentyl]-,ethyl ester;Glycine,N-[5-(purin-6-ylthio)valeryl]-,ethyl ester;Glycine,N-[1-oxo-5-(1H-purin-6-ylthio)pentyl]-,ethyl ester;N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester;Butocine;N-[δ-(6-Purinylthio)valeryl]glycine ethyl ester;Butocin;Benin;Benin (pharmaceutical);NSC 172755
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CAS No:
Description
Butocin is a S-substituted analog of mercaptopurine and purine antagonist with cytostatic activity. Butocin inhibits purine nucleotide synthesis and DNA replication.
N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester Basic Attributes
337.39736
337.40
244-821-4
523O15TF2E
172755
C1030
Computed Properties
Molecular Weight:337.40
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:337.12086066
Monoisotopic Mass:337.12086066
Topological Polar Surface Area:135
Heavy Atom Count:23
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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N-[1-Oxo-5-(9H-purin-6-ylthio)pentyl]glycine ethyl ester
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