Chem
J-GLOBAL ID：200907011215952837   Nikkaji number：J864.861A

1,1′-Trimethylenebis(3,7-dimethylxanthine)

1,1′-トリメチレンビス(3,7-ジメチルキサンチン)
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H20N8O4
Molecular formula furigana： C17-H20-N8-O4
Molecular weight： 400.399
InChI： InChI=1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
InChI key： KEPIKAFUZRKZMT-UHFFFAOYSA-N
SMILES： Cn1cnc2n(C)c(=O)n(CCCn3c(=O)n(C)c4ncn(C)c4c3=O)c(=O)c12
Systematic name  (3)：
  • 1,1′-トリメチレンビス(3,7-ジメチルキサンチン)
  • 1-[3-(3,7-ジメチル-2,6-ジオキソ-2,3,6,7-テトラヒドロ-1H-プリン-1-イル)プロピル]-3,7-ジメチル-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 1-[3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propyl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,1′-Trimethylenebis(3,7-dimethylxanthine)
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