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8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione

8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione structure

CAS No:
34330-88-6
Formula:
C17H20N8O4
Chemical Name:
8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione
Synonyms:
34330-88-6;NSC14406;8,8'-propane-1,3-diylbis(1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione);CHEMBL4440840;1,3-Bis(8-theophylline)propane;DTXSID80279878;1,3-bis(theophyllin-8-yl)propane;ZINC8612355;NSC-14406;Theophylline (8CI),8'-trimethylenedi-;8,3-dimethylpurine-2,6(1H,3H)-dione;1H-Purine-2, 8,8'-(1,3-propanediyl)bis(3,7-dihydro-1,3-dimethyl-

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8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes

Molecular Weight：

400.4 g/mol

Exact Mass：

400.16075115 g/mol

NSC Number：

14406

DSSTox ID：

DTXSID80279878

Characteristics

PSA：

139 Å²

Computed Properties

Molecular Weight:400.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:400.16075115
Monoisotopic Mass:400.16075115
Topological Polar Surface Area:139
Heavy Atom Count:29
Complexity:687
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-1,3-dimethyl-7H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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