Chem
J-GLOBAL ID:201207041577603433
Nikkaji number:J3.119.979D
PU-H71
PU-H71
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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 H21 IN6 O2 S
Molecular formula furigana:
C18-H21-I-N6-O2-S
Molecular weight:
512.370
InChI:
InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
InChI key:
SUPVGFZUWFMATN-UHFFFAOYSA-N
SMILES:
CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12
Systematic name (6):
6-アミノ-8-[(6-ヨード-1,3-ベンゾジオキソール-5-イル)チオ]-N-イソプロピル-9H-プリン-9-(1-プロパンアミン)
N-イソプロピル-3-[6-アミノ-8-(6-ヨード-1,3-ベンゾジオキソール-5-イルチオ)-9H-プリン-9-イル]プロパン-1-アミン
8-(6-ヨード-1,3-ベンゾジオキソール-5-イルチオ)-9-[3-(イソプロピルアミノ)プロピル]-9H-プリン-6-アミン
9-[3-(イソプロピルアミノ)プロピル]-8-(6-ヨード-1,3-ベンゾジオキソール-5-イルチオ)-6-アミノ-9H-プリン
8-[(6-ヨード-2H-1,3-ベンゾジオキソール-5-イル)スルファニル]-9-{3-[(プロパン-2-イル)アミノ]プロピル}-9H-プリン-6-アミン
8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9-{3-[(propan-2-yl)amino]propyl}-9H-purin-6-amine
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Other name (5):
6-Amino-8-[(6-iodo-1,3-benzodioxole-5-yl)thio]-N-isopropyl-9H-purine-9-(1-propaneamine)
PU-H71
N-Isopropyl-3-[6-amino-8-(6-iodo-1,3-benzodioxole-5-ylthio)-9H-purine-9-yl]propane-1-amine
8-(6-Iodo-1,3-benzodioxole-5-ylthio)-9-[3-(isopropylamino)propyl]-9H-purine-6-amine
9-[3-(Isopropylamino)propyl]-8-(6-iodo-1,3-benzodioxole-5-ylthio)-6-amino-9H-purine
CAS registry number:
873436-91-0
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