Chem
J-GLOBAL ID：200907089809496091
Nikkaji number：J1.796.530A
4-(2-Iodo-9-isopropyl-9H-purine-6-ylthio)butanoic acid
4-(2-ヨード-9-イソプロピル-9H-プリン-6-イルチオ)ブタン酸
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
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
Molecular formula： C12H15IN4O2S
Molecular formula furigana： C12-H15-I-N4-O2-S
Molecular weight： 406.240
InChI：
InChI=1S/C12H15IN4O2S/c1-7(2)17-6-14-9-10(17)15-12(13)16-11(9)20-5-3-4-8(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)
InChI key：
DJPKTNLCRJGCHO-UHFFFAOYSA-N
SMILES：
CC(C)n1cnc2c(SCCCC(=O)O)nc(I)nc12
Systematic name (3)：
- 4-(2-ヨード-9-イソプロピル-9H-プリン-6-イルチオ)ブタン酸
- 4-{[2-ヨード-9-(プロパン-2-イル)-9H-プリン-6-イル]スルファニル}ブタン酸
- 4-{[2-iodo-9-(propan-2-yl)-9H-purin-6-yl]sulfanyl}butanoic acid
- 4-(2-Iodo-9-isopropyl-9H-purine-6-ylthio)butanoic acid
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