Chem
J-GLOBAL ID：202107014734990112
Nikkaji number：J3.757.577A
N2-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N4,N6-bis(2H-1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
N2-[2-(2H-1,3-ベンゾジオキソール-5-イル)エチル]-N4,N6-ビス(2H-1,3-ベンゾジオキソール-5-イルメチル)-1,3,5-トリアジン-2,4,6-トリアミン
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： C28H26N6O6
Molecular formula furigana： C28-H26-N6-O6
Molecular weight： 542.552
InChI：
InChI=1S/C28H26N6O6/c1-4-20-23(38-14-35-20)9-17(1)7-8-29-26-32-27(30-12-18-2-5-21-24(10-18)39-15-36-21)34-28(33-26)31-13-19-3-6-22-25(11-19)40-16-37-22/h1-6,9-11H,7-8,12-16H2,(H3,29,30,31,32,33,34)
InChI key：
HYPYXONUQRTNIT-UHFFFAOYSA-N
SMILES：
n1c(nc(nc1NCc1cc2c(OCO2)cc1)NCc1cc2c(OCO2)cc1)NCCc1cc2c(OCO2)cc1
Systematic name (3)：
- N-[2-(1,3-ベンゾジオキソール-5-イル)エチル]-N′,N′′-ビス(1,3-ベンゾジオキソール-5-イルメチル)-1,3,5-トリアジン-2,4,6-トリアミン
- N2-[2-(2H-1,3-ベンゾジオキソール-5-イル)エチル]-N4,N6-ビス[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-1,3,5-トリアジン-2,4,6-トリアミン
- N2-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N4,N6-bis[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
- N2-[2-(2H-1,3-ベンゾジオキソール-5-イル)エチル]-N4,N6-ビス(2H-1,3-ベンゾジオキソール-5-イルメチル)-1,3,5-トリアジン-2,4,6-トリアミン
- N2-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-N4,N6-bis(2H-1,3-benzodioxol-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
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