Chem
J-GLOBAL ID:200907050522028840   Nikkaji number:J1.409.033I

2-[1-(1-Deoxy-2-O,3-O:4-O,5-O-diisopropylidene-D-xylitol-1-yl)-1H-1,2,3-triazole-4-yl]-9-methyl-5,6,9,10-tetrahydro-4H,8H-pyrimido[1,2,3-cd]purine-8,10-dione

2-[1-(1-デオキシ-2-O,3-O:4-O,5-O-ジイソプロピリデン-D-キシリトール-1-イル)-1H-1,2,3-トリアゾール-4-イル]-9-メチル-5,6,9,10-テトラヒドロ-4H,8H-ピリミド[1,2,3-cd]プリン-8,10-ジオン
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: C22H29N7O6
Molecular formula furigana: C22-H29-N7-O6
Molecular weight: 487.517
InChI: InChI=1S/C22H29N7O6/c1-21(2)32-11-14(34-21)16-13(33-22(3,4)35-16)10-27-9-12(24-25-27)17-23-15-18-28(17)7-6-8-29(18)20(31)26(5)19(15)30/h9,13-14,16H,6-8,10-11H2,1-5H3/t13-,14+,16+/m0/s1
InChI key: OHXVDJKBRUPURF-SQWLQELKSA-N
SMILES: Cn1c(=O)n2CCCn3c(nc(c23)c1=O)c1cn(C[C@@H]2OC(C)(C)O[C@H]2[C@H]2COC(C)(C)O2)nn1
Systematic name  (3):
  • 2-[1-(1-デオキシ-2-O,3-O:4-O,5-O-ジイソプロピリデン-D-キシリトール-1-イル)-1H-1,2,3-トリアゾール-4-イル]-9-メチル-5,6,9,10-テトラヒドロ-4H,8H-ピリミド[1,2,3-cd]プリン-8,10-ジオン
  • 2-(1-{[(4S,5R)-5-[(4R)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-2,2-ジメチル-1,3-ジオキソラン-4-イル]メチル}-1H-1,2,3-トリアゾール-4-イル)-6-メチル-1,3,6,8-テトラアザトリシクロ[6.3.1.04,12]ドデカ-2,4(12)-ジエン-5,7-ジオン
  • 2-(1-{[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-6-methyl-1,3,6,8-tetraazatricyclo[6.3.1.04,12]dodeca-2,4(12)-diene-5,7-dione
Other name (1):
  • 2-[1-(1-Deoxy-2-O,3-O:4-O,5-O-diisopropylidene-D-xylitol-1-yl)-1H-1,2,3-triazole-4-yl]-9-methyl-5,6,9,10-tetrahydro-4H,8H-pyrimido[1,2,3-cd]purine-8,10-dione
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