Chem
J-GLOBAL ID:200907002078556598
Nikkaji number:J1.010.762H
N-[3-[(2,3-Dihydro-3-oxo-6-chloropyridazine)-2-yl]propyl]adenosine
N-[3-[(2,3-ジヒドロ-3-オキソ-6-クロロピリダジン)-2-イル]プロピル]アデノシン
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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:
C17 H20 ClN7 O5
Molecular formula furigana:
C17-H20-CL-N7-O5
Molecular weight:
437.840
InChI:
InChI=1S/C17H20ClN7O5/c18-10-2-3-11(27)25(23-10)5-1-4-19-15-12-16(21-7-20-15)24(8-22-12)17-14(29)13(28)9(6-26)30-17/h2-3,7-9,13-14,17,26,28-29H,1,4-6H2,(H,19,20,21)/t9-,13-,14-,17-/m1/s1
InChI key:
NUQOSQUTRDMIJE-KRQFVHPKSA-N
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCn3nc(Cl)ccc3=O)ncnc12
Systematic name (3):
N-[3-[(2,3-ジヒドロ-3-オキソ-6-クロロピリダジン)-2-イル]プロピル]アデノシン
6-クロロ-2-[3-({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}アミノ)プロピル]-2,3-ジヒドロピリダジン-3-オン
6-chloro-2-[3-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)propyl]-2,3-dihydropyridazin-3-one
Other name (1):
N-[3-[(2,3-Dihydro-3-oxo-6-chloropyridazine)-2-yl]propyl]adenosine
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