8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
6466-43-9
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Formula:
C15H16N4O2S
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Chemical Name:
8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
TPBM;6466-43-9;NSC95910;8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione;MLS002703320;NSC-95910;8-Benzylsulfanylmethyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione;8-[(Benzylthio)methyl]theophylline;Theophylline, 8-[(benzylthio)methyl];NCIStruc1_001567;NCIStruc2_001461;SCHEMBL4226426;CHEMBL1329166;DTXSID40294345;NCI95910;ZINC1621537;CCG-36625;MFCD11114397;NCGC00013999;TPBM, >=98% (HPLC), solid;NCGC00013999-02;NCGC00097108-01;NCI60_042136;SMR001570043;8-(benzylthiomethyl)-1,6(3H,7H)-dione;1,3-Dimethyl-8-[(benzylthio)methyl]-7H-purine-2,6(1H,3H)-dione;8-(benzylthiomethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;8-((benzylthio)methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
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CAS No:
8-(benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
316.4 g/mol
316.09939694 g/mol
95910
DTXSID40294345
Computed Properties
Molecular Weight:316.4
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:316.09939694
Monoisotopic Mass:316.09939694
Topological Polar Surface Area:94.6
Heavy Atom Count:22
Complexity:441
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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