1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione
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1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione
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CAS No:
1088-64-8
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Formula:
C12H11N5O2
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Chemical Name:
1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione
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Synonyms:
8-gamma-Pyridyltheophylline;8-(4-Pyridyl)theophylline;8-gamma-Piridilteofillina [Italian];CHEMBL10790;Theophylline, 8-(4-pyridyl)-;8-gamma-Piridilteofillina;1,3-dimethyl-8-pyridin-4-yl-7H-purine-2,6-dione;8-(4-Pyridyl)theophyline;SCHEMBL6868854;CTK4A6219
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CAS No:
1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione Basic Attributes
257.253
257.091
DTXSID70148746
2933990090
Computed Properties
Molecular Weight:257.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:257.09127461
Monoisotopic Mass:257.09127461
Topological Polar Surface Area:82.2
Heavy Atom Count:19
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1,3-Dimethyl-8-(pyridin-4-yl)-1H-purine-2,6(3H,7H)-dione
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