Chem
J-GLOBAL ID：200907081535711372
Nikkaji number：J1.819.588G
2-Methoxy-4-(5-iodo-4-pyrimidinylamino)benzoic acid methyl ester
2-メトキシ-4-(5-ヨード-4-ピリミジニルアミノ)安息香酸メチル
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： C13H12IN3O3
Molecular formula furigana： C13-H12-I-N3-O3
Molecular weight： 385.161
InChI：
InChI=1S/C13H12IN3O3/c1-19-11-5-8(3-4-9(11)13(18)20-2)17-12-10(14)6-15-7-16-12/h3-7H,1-2H3,(H,15,16,17)
InChI key：
HCZQVHUGSFQHHZ-UHFFFAOYSA-N
SMILES：
COC(=O)c1ccc(Nc2ncncc2I)cc1OC
Systematic name (3)：
- 2-メトキシ-4-(5-ヨード-4-ピリミジニルアミノ)安息香酸メチル
- メチル 4-[(5-ヨードピリミジン-4-イル)アミノ]-2-メトキシベンゾアート
- methyl 4-[(5-iodopyrimidin-4-yl)amino]-2-methoxybenzoate
- 2-Methoxy-4-(5-iodo-4-pyrimidinylamino)benzoic acid methyl ester
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