8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
73908-75-5
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Formula:
C14H22N4O2S
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Chemical Name:
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
Theophylline, (8-heptylthio)-;8-(N-Heptylthio)theophylline;73908-75-5;UNII-CEZ1N89SN9;CEZ1N89SN9;8-n-Heptylthiotheophylline;Theophylline, 8-heptylthio-;NSC 77347;NSC77347;8-Heptylthiotheophyline;8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione;8-HEPTYLTHIOTHEOPHYLLINE;DTXSID40995047;NSC-77347;DS-009278;1H-Purine-2, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl-;8-(Heptylsulfanyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione;1H-Purine-2,6-dione, 8-(heptylthio)-3,7-dihydro-1,3-dimethyl- (9CI)
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CAS No:
8-heptylsulfanyl-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
310.42 g/mol
310.14634713 g/mol
CEZ1N89SN9
77347
Computed Properties
Molecular Weight:310.42
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:310.14634713
Monoisotopic Mass:310.14634713
Topological Polar Surface Area:94.6
Heavy Atom Count:21
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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