Chem
J-GLOBAL ID:200907029862592741
Nikkaji number:J1.010.753I
6-[4-[(2,3-Dihydro-3-oxopyridazine)-5-yl]-1-piperazinyl]-9-(β-D-ribofuranosyl)-9H-purine
6-[4-[(2,3-ジヒドロ-3-オキソピリダジン)-5-イル]-1-ピペラジニル]-9-(β-D-リボフラノシル)-9H-プリン
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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:
C18 H22 N8 O5
Molecular formula furigana:
C18-H22-N8-O5
Molecular weight:
430.425
InChI:
InChI=1S/C18H22N8O5/c27-7-11-14(29)15(30)18(31-11)26-9-21-13-16(19-8-20-17(13)26)25-3-1-24(2-4-25)10-5-12(28)23-22-6-10/h5-6,8-9,11,14-15,18,27,29-30H,1-4,7H2,(H,23,28)/t11-,14-,15-,18-/m1/s1
InChI key:
MSKTZOLUGUDDFO-XKLVTHTNSA-N
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N1CCN(CC1)c1cn[nH]c(=O)c1
Systematic name (3):
6-[4-[(2,3-ジヒドロ-3-オキソピリダジン)-5-イル]-1-ピペラジニル]-9-(β-D-リボフラノシル)-9H-プリン
5-(4-{9-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-9H-プリン-6-イル}ピペラジン-1-イル)-2,3-ジヒドロピリダジン-3-オン
5-(4-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}piperazin-1-yl)-2,3-dihydropyridazin-3-one
Other name (1):
6-[4-[(2,3-Dihydro-3-oxopyridazine)-5-yl]-1-piperazinyl]-9-(β-D-ribofuranosyl)-9H-purine
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