7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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![7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0db4888daea247b2b77069d6a1cc5415.png "7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione")
7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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CAS No:
20153-86-0
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Formula:
C29H34N6O4
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Chemical Name:
7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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Synonyms:
BRN 0601184;Theophylline, 7-(2-benzoyloxy-3-(4-phenethyl-1-piperazinyl)propyl)-;1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-phenethyl-, benzoate (ester);1-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)-3-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl benzoate;CTK4E3427;DTXSID40942197;LS-112329;7-(2-BENZOYLOXY-3-(4-PHENETHYL-(PIPERAZIN-1-YL))PROPYL)THEOPHYLLINE;7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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CAS No:
7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione Basic Attributes
530.629
530.264
Computed Properties
Molecular Weight:530.6
XLogP3:2.9
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:530.26415359
Monoisotopic Mass:530.26415359
Topological Polar Surface Area:91.2
Heavy Atom Count:39
Complexity:853
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
7-[2-(Benzoyloxy)-3-[4-(2-phenylethyl)-1-piperazinyl]propyl]-1,3-dimethyl-7H-purine-2,6(1H,3H)-dione
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