Chem
J-GLOBAL ID：200907000651887054   Nikkaji number：J362.490K

1,3-Dimethyl-5-propyl-2,4,9-trioxo-1,2,3,4,5,9-hexahydro[1,3]diazocino[1,2-e]purine-7,8,11-tricarboxylic acid trimethyl ester

1,3-ジメチル-5-プロピル-2,4,9-トリオキソ-1,2,3,4,5,9-ヘキサヒドロ[1,3]ジアゾシノ[1,2-e]プリン-7,8,11-トリカルボン酸トリメチル
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： C21H23N5O9
Molecular formula furigana： C21-H23-N5-O9
Molecular weight： 489.441
InChI： InChI=1S/C21H23N5O9/c1-7-8-25-14-15(23(2)21(32)24(3)16(14)28)26-10(17(29)33-4)9-11(27)12(18(30)34-5)13(19(31)35-6)22-20(25)26/h9H,7-8H2,1-6H3/b10-9?,13-12?,22-20-
InChI key： NUWRDXSLDDLAFA-AWRWYXFJSA-N
SMILES： CCCn1c2nc(C(=O)OC)c(C(=O)OC)c(=O)cc(n2c2c1c(=O)n(C)c(=O)n2C)C(=O)OC
Systematic name  (3)：
  • 1,3-ジメチル-5-プロピル-2,4,9-トリオキソ-1,2,3,4,5,9-ヘキサヒドロ[1,3]ジアゾシノ[1,2-e]プリン-7,8,11-トリカルボン酸トリメチル
  • 7,8,11-トリメチル 1,3-ジメチル-2,4,9-トリオキソ-5-プロピル-1H,2H,3H,4H,5H,9H-[1,3]ジアゾシノ[2,1-h]プリン-7,8,11-トリカルボキシラート
  • 7,8,11-trimethyl 1,3-dimethyl-2,4,9-trioxo-5-propyl-1H,2H,3H,4H,5H,9H-[1,3]diazocino[2,1-h]purine-7,8,11-tricarboxylate
Other name (1)：
  • 1,3-Dimethyl-5-propyl-2,4,9-trioxo-1,2,3,4,5,9-hexahydro[1,3]diazocino[1,2-e]purine-7,8,11-tricarboxylic acid trimethyl ester
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