Chem
J-GLOBAL ID:200907051801246498   Nikkaji number:J627.435H

1-[6-[[2-[1-[2-(Dimethylamino)ethyl]-1H-indol-3-yl]ethyl]amino]-9H-purin-9-yl]-N-cyclopropyl-1-deoxy-β-D-ribofuranuronamide

1-[6-[[2-[1-[2-(ジメチルアミノ)エチル]-1H-インドール-3-イル]エチル]アミノ]-9H-プリン-9-イル]-N-シクロプロピル-1-デオキシ-β-D-リボフラヌロンアミド
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: C27H34N8O4
Molecular formula furigana: C27-H34-N8-O4
Molecular weight: 534.621
InChI: InChI=1S/C27H34N8O4/c1-33(2)11-12-34-13-16(18-5-3-4-6-19(18)34)9-10-28-24-20-25(30-14-29-24)35(15-31-20)27-22(37)21(36)23(39-27)26(38)32-17-7-8-17/h3-6,13-15,17,21-23,27,36-37H,7-12H2,1-2H3,(H,32,38)(H,28,29,30)/t21-,22+,23-,27+/m0/s1
InChI key: YBXSTJFCTRTFRS-NBCVKUGOSA-N
SMILES: CN(C)CCn1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C(=O)NC2CC2)c2ccccc12
Systematic name  (3):
  • 1-[6-[[2-[1-[2-(ジメチルアミノ)エチル]-1H-インドール-3-イル]エチル]アミノ]-9H-プリン-9-イル]-N-シクロプロピル-1-デオキシ-β-D-リボフラヌロンアミド
  • (2S,3S,4R,5R)-N-シクロプロピル-5-{6-[(2-{1-[2-(ジメチルアミノ)エチル]-1H-インドール-3-イル}エチル)アミノ]-9H-プリン-9-イル}-3,4-ジヒドロキシオキソラン-2-カルボキサミド
  • (2S,3S,4R,5R)-N-cyclopropyl-5-{6-[(2-{1-[2-(dimethylamino)ethyl]-1H-indol-3-yl}ethyl)amino]-9H-purin-9-yl}-3,4-dihydroxyoxolane-2-carboxamide
Other name (1):
  • 1-[6-[[2-[1-[2-(Dimethylamino)ethyl]-1H-indol-3-yl]ethyl]amino]-9H-purin-9-yl]-N-cyclopropyl-1-deoxy-β-D-ribofuranuronamide
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