3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
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3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
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CAS No:
22680-61-1
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Formula:
C16H19N5O2
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Chemical Name:
3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
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Synonyms:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-;Theophylline,7-[2-(benzylamino)ethyl]-;3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione;7-[2-(Benzylamino)ethyl]-1,3-dimethylxanthine;7-(2-Benzylaminoethyl)theophylline
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CAS No:
3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione Basic Attributes
313.35436
313.35
245-155-7
DTXSID70177213
2933990090
Computed Properties
Molecular Weight:313.35
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:313.15387487
Monoisotopic Mass:313.15387487
Topological Polar Surface Area:70.5
Heavy Atom Count:23
Complexity:452
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3,7-Dihydro-1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]-1H-purine-2,6-dione
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