Chem
J-GLOBAL ID：201307049166521841   Nikkaji number：J3.144.153F

CH-5066315

22-メチル-13,18-ジオキサ-7-チア-3,5-ジアザテトラシクロ[17.3.1.12,6.18,12]ペンタコサ-1(23),2,4,6(25),8(24),9,11,19,21-ノナエン-4-アミン
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： C21H21N3O2S
Molecular formula furigana： C21-H21-N3-O2-S
Molecular weight： 379.480
InChI： InChI=1S/C21H21N3O2S/c1-14-7-8-16-12-18(14)19-13-20(24-21(22)23-19)27-17-6-4-5-15(11-17)25-9-2-3-10-26-16/h4-8,11-13H,2-3,9-10H2,1H3,(H2,22,23,24)
InChI key： ZRQBUFWZLIUDMG-UHFFFAOYSA-N
SMILES： Cc1ccc2OCCCCOc3cccc(Sc4cc(nc(N)n4)c1c2)c3
Systematic name  (3)：
  • 17-メチル-2-チア-8,13-ジオキサ-20,22-ジアザテトラシクロ[17.3.1.13,7.114,18]ペンタコサン-1(22),3(25),4,6,14(24),15,17,19(23),20-ノナエン-21-アミン
  • 22-メチル-13,18-ジオキサ-7-チア-3,5-ジアザテトラシクロ[17.3.1.12,6.18,12]ペンタコサ-1(23),2,4,6(25),8(24),9,11,19,21-ノナエン-4-アミン
  • 22-methyl-13,18-dioxa-7-thia-3,5-diazatetracyclo[17.3.1.12,6.18,12]pentacosa-1(23),2,4,6(25),8(24),9,11,19,21-nonaen-4-amine
Other name (2)：
  • 17-Methyl-2-thia-8,13-dioxa-20,22-diazatetracyclo[17.3.1.13,7.114,18]pentacosane-1(22),3(25),4,6,14(24),15,17,19(23),20-nonaene-21-amine
  • CH-5066315
Thsaurus map：
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