Chem
J-GLOBAL ID：202007019552302487
Nikkaji number：J3.749.543C
N-[4-[[4,6-ビス[(3,4-ジメトキシベンジル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]ブチル]-N′,N′′-ビス(3,4-ジメトキシベンジル)-1,3,5-トリアジン-2,4,6-トリアミン
N-[4-[[4,6-ビス[(3,4-ジメトキシベンジル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]ブチル]-N′,N′′-ビス(3,4-ジメトキシベンジル)-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： C46H58N12O8
Molecular formula furigana： C46-H58-N12-O8
Molecular weight： 907.046
InChI：
InChI=1S/C46H58N12O8/c1-59-33-15-11-29(21-37(33)63-5)25-49-43-53-41(54-44(57-43)50-26-30-12-16-34(60-2)38(22-30)64-6)47-19-9-10-20-48-42-55-45(51-27-31-13-17-35(61-3)39(23-31)65-7)58-46(56-42)52-28-32-14-18-36(62-4)40(24-32)66-8/h11-18,21-24H,9-10,19-20,25-28H2,1-8H3,(H3,47,49,50,53,54,57)(H3,48,51,52,55,56,58)
InChI key：
PACJPICINWOLJE-UHFFFAOYSA-N
SMILES：
n1c(nc(nc1NCc1cc(c(cc1)OC)OC)NCc1cc(c(cc1)OC)OC)NCCCCNc1nc(nc(n1)NCc1cc(c(cc1)OC)OC)NCc1cc(c(cc1)OC)OC
Systematic name (3)：
- N-[4-[[4,6-ビス[(3,4-ジメトキシベンジル)アミノ]-1,3,5-トリアジン-2-イル]アミノ]ブチル]-N′,N′′-ビス(3,4-ジメトキシベンジル)-1,3,5-トリアジン-2,4,6-トリアミン
- N2-(4-{[4,6-ビス({[(3,4-ジメトキシフェニル)メチル]アミノ})-1,3,5-トリアジン-2-イル]アミノ}ブチル)-N4,N6-ビス[(3,4-ジメトキシフェニル)メチル]-1,3,5-トリアジン-2,4,6-トリアミン
- N2-(4-{[4,6-bis({[(3,4-dimethoxyphenyl)methyl]amino})-1,3,5-triazin-2-yl]amino}butyl)-N4,N6-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
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