ethyl 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzoate
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![ethyl 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1840b9461a084820b064c0c23391c8e0.png "ethyl 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzoate")
ethyl 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzoate
structure -
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CAS No:
125802-50-8
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Formula:
C21H18ClN5O2
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Chemical Name:
ethyl 4-[(9-benzyl-2-chloropurin-6-yl)amino]benzoate
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Synonyms:
ETHYL 4-[(9-BENZYL-2-CHLORO-PURIN-6-YL)AMINO]BENZOATE; Benzoic acid,4-[[2-chloro-9-(phenylmethyl)-9H-purin-6-yl]amino]-,ethyl ester;
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CAS No:
Computed Properties
Molecular Weight:407.9
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:407.1149025
Monoisotopic Mass:407.1149025
Topological Polar Surface Area:81.9
Heavy Atom Count:29
Complexity:539
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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