Chem
J-GLOBAL ID:200907027790094161   Nikkaji number:J1.847.927C

1-(2-O,3-O,5-O-Tribenzoyl-β-D-ribofuranosyl)-3-(4-nitrophenyl)-6-methyl-1,5,6,7-tetrahydropyrimido[5,4-e]-1,2,4-triazine-5,7-dione

1-(2-O,3-O,5-O-トリベンゾイル-β-D-リボフラノシル)-3-(4-ニトロフェニル)-6-メチル-1,5,6,7-テトラヒドロピリミド[5,4-e]-1,2,4-トリアジン-5,7-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: C38H28N5[N+]O10[O-]
Molecular formula furigana: C38-H28-N6-O11
Molecular weight: 744.673
InChI: InChI=1S/C38H28N6O11/c1-42-33(45)28-32(40-38(42)49)43(41-31(39-28)22-17-19-26(20-18-22)44(50)51)34-30(55-37(48)25-15-9-4-10-16-25)29(54-36(47)24-13-7-3-8-14-24)27(53-34)21-52-35(46)23-11-5-2-6-12-23/h2-20,27,29-30,34H,21H2,1H3/t27-,29-,30-,34-/m1/s1
InChI key: VKXQERDKRYXBCV-WIFIACMTSA-N
SMILES: Cn1c(=O)nc2n(nc(nc2c1=O)c1ccc(cc1)[N+](=O)[O-])[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (3):
  • 1-(2-O,3-O,5-O-トリベンゾイル-β-D-リボフラノシル)-3-(4-ニトロフェニル)-6-メチル-1,5,6,7-テトラヒドロピリミド[5,4-e]-1,2,4-トリアジン-5,7-ジオン
  • [(2R,3R,4R,5R)-3,4-ビス(ベンゾイルオキシ)-5-[6-メチル-3-(4-ニトロフェニル)-5,7-ジオキソ-1H,5H,6H,7H-ピリミド[5,4-e][1,2,4]トリアジン-1-イル]オキソラン-2-イル]メチル ベンゾアート
  • [(2R,3R,4R,5R)-3,4-bis(benzoyloxy)-5-[6-methyl-3-(4-nitrophenyl)-5,7-dioxo-1H,5H,6H,7H-pyrimido[5,4-e][1,2,4]triazin-1-yl]oxolan-2-yl]methyl benzoate
Other name (1):
  • 1-(2-O,3-O,5-O-Tribenzoyl-β-D-ribofuranosyl)-3-(4-nitrophenyl)-6-methyl-1,5,6,7-tetrahydropyrimido[5,4-e]-1,2,4-triazine-5,7-dione
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