Chem
J-GLOBAL ID：201707005760339827
Nikkaji number：J3.655.453C
N,N′,N′′-Tris(1,3-benzodioxole-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
N,N′,N′′-トリス(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
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： C27H24N6O6
Molecular formula furigana： C27-H24-N6-O6
Molecular weight： 528.525
InChI：
InChI=1S/C27H24N6O6/c1-4-19-22(37-13-34-19)7-16(1)10-28-25-31-26(29-11-17-2-5-20-23(8-17)38-14-35-20)33-27(32-25)30-12-18-3-6-21-24(9-18)39-15-36-21/h1-9H,10-15H2,(H3,28,29,30,31,32,33)
InChI key：
NRSMACVBHNBESR-UHFFFAOYSA-N
SMILES：
C(Nc1nc(NCc2ccc3OCOc3c2)nc(NCc2ccc3OCOc3c2)n1)c1ccc2OCOc2c1
Systematic name (3)：
- N,N′,N′′-トリス(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,N4,N6-トリス[(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,N4,N6-tris[(2H-1,3-benzodioxol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
- N,N′,N′′-Tris(1,3-benzodioxole-5-ylmethyl)-1,3,5-triazine-2,4,6-triamine
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