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8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione

8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione structure

CAS No:
81781-90-0
Formula:
C16H17ClN4O2
Chemical Name:
8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Synonyms:
7-Chloroethyl-8-benzyltheophylline;81781-90-0;SCHEMBL8373802;8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione;DTXSID20231359;1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-;7-(2-Chloroethyl)-1,3-dimethyl-8-benzyl-7H-purine-2,6(1H,3H)-dione

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8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

332.78 g/mol

Exact Mass：

332.1040035 g/mol

DSSTox ID：

DTXSID20231359

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:332.78
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:332.1040035
Monoisotopic Mass:332.1040035
Topological Polar Surface Area:58.4
Heavy Atom Count:23
Complexity:469
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-benzyl-7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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