Chem
J-GLOBAL ID：200907038848566176   Nikkaji number：J878.879K

2-[[6-[3-[N1-(4-Chlorophenyl)amidino]guanidino]hexyl]amino]-4-[(4-chlorophenyl)amino]-7-methyl-1H-1,3,5-triazepin-6(7H)-one

2-[[6-[3-[N1-(4-クロロフェニル)アミジノ]グアニジノ]ヘキシル]アミノ]-4-[(4-クロロフェニル)アミノ]-7-メチル-1H-1,3,5-トリアゼピン-6(7H)-オン
Substance type：
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
Molecular formula： C25H32Cl2N10O
Molecular formula furigana： C25-H32-CL2-N10-O
Molecular weight： 559.500
InChI： InChI=1S/C25H32Cl2N10O/c1-16-21(38)35-25(34-20-12-8-18(27)9-13-20)37-24(32-16)31-15-5-3-2-4-14-30-22(28)36-23(29)33-19-10-6-17(26)7-11-19/h6-13,16H,2-5,14-15H2,1H3,(H5,28,29,30,33,36)(H3,31,32,34,35,37,38)
InChI key： FEHAQWOEGBGDQC-UHFFFAOYSA-N
SMILES： CC1NC(=NC(=NC1=O)Nc1ccc(Cl)cc1)NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1
Systematic name  (3)：
  • 2-[[6-[3-[N1-(4-クロロフェニル)アミジノ]グアニジノ]ヘキシル]アミノ]-4-[(4-クロロフェニル)アミノ]-7-メチル-1H-1,3,5-トリアゼピン-6(7H)-オン
  • N-(4-クロロフェニル)-1-{N'-[6-({4-[(4-クロロフェニル)アミノ]-7-メチル-6-オキソ-6,7-ジヒドロ-1H-1,3,5-トリアゼピン-2-イル}アミノ)ヘキシル]カルバムイミドアミド}メタンイミドアミド
  • N-(4-chlorophenyl)-1-{N'-[6-({4-[(4-chlorophenyl)amino]-7-methyl-6-oxo-6,7-dihydro-1H-1,3,5-triazepin-2-yl}amino)hexyl]carbamimidamido}methanimidamide
Other name (1)：
  • 2-[[6-[3-[N1-(4-Chlorophenyl)amidino]guanidino]hexyl]amino]-4-[(4-chlorophenyl)amino]-7-methyl-1H-1,3,5-triazepin-6(7H)-one
Thsaurus map：
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