Chem
J-GLOBAL ID：200907002295265623   Nikkaji number：J1.965.282C

1,1′-(3-Methyl-2-hexene-4-yne-1,6-diyl)bis(3,7-dimethylxanthine)

1,1′-(3-メチル-2-ヘキセン-4-イン-1,6-ジイル)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： C21H22N8O4
Molecular formula furigana： C21-H22-N8-O4
Molecular weight： 450.459
InChI： InChI=1S/C21H22N8O4/c1-13(8-10-29-19(31)15-17(23-12-25(15)3)27(5)21(29)33)7-6-9-28-18(30)14-16(22-11-24(14)2)26(4)20(28)32/h8,11-12H,9-10H2,1-5H3
InChI key： QGXJPIQHKFTXNS-UHFFFAOYSA-N
SMILES： CC(=CCn1c(=O)n(C)c2ncn(C)c2c1=O)C#CCn1c(=O)n(C)c2ncn(C)c2c1=O
Systematic name  (3)：
  • 1,1′-(3-メチル-2-ヘキセン-4-イン-1,6-ジイル)ビス(3,7-ジメチルキサンチン)
  • 1-[6-(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)-3-メチルヘキサ-2-エン-4-イン-1-イル]-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-[6-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)-3-methylhex-2-en-4-yn-1-yl]-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1)：
  • 1,1′-(3-Methyl-2-hexene-4-yne-1,6-diyl)bis(3,7-dimethylxanthine)
Thsaurus map：
Thesaurus Map

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