8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
74039-69-3
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Formula:
C14H18N4O2
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Chemical Name:
8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
8-(1-Cyclohexen-1-ylmethyl)theophylline;Theophylline, 8-(1-cyclohexen-1-ylmethyl)-;74039-69-3;UNII-CFO172OCE3;CFO172OCE3;NSC 106216;1H-Purine-2,6-dione, 8-(1-cyclohexen-1-ylmethyl)-3,7-dihydro-1,3-dimethyl-;NSC106216;8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione;DTXSID50224936;8-[1-Cyclohexenylmethyl]theophylline;ZINC17420242;NSC-106216;8-(1-Cyclohexen-1-ylmethyl)theophyline;8-(1-Cyclohexen-1-ylmethyl)-theophylline;1H-Purine-2, 8-(1-cyclohexen-1-ylmethyl)-3,7-dihydro-1,3-dimethyl-;8-(Cyclohex-1-en-1-ylmethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;1H-Purine-2,6-dione, 8-(1-cyclohexen-1-ylmethyl)-3,7-dihydro-1,3-dimethyl- (9CI);8-(1-Cyclohexen-1-ylmethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
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CAS No:
8-(cyclohexen-1-ylmethyl)-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
274.32 g/mol
274.14297583 g/mol
CFO172OCE3
106216
DTXSID50224936
Computed Properties
Molecular Weight:274.32
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:274.14297583
Monoisotopic Mass:274.14297583
Topological Polar Surface Area:69.3
Heavy Atom Count:20
Complexity:462
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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