Chem
J-GLOBAL ID：201307004021065720   Nikkaji number：J3.169.848K

BAY-60-7550

5-メチル-7-[(R)-1-[(R)-1-ヒドロキシエチル]-4-フェニルブチル]-2-(3,4-ジメトキシベンジル)イミダゾ[5,1-f][1,2,4]トリアジン-4(3H)-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： C27H32N4O4
Molecular formula furigana： C27-H32-N4-O4
Molecular weight： 476.577
InChI： InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
InChI key： MYTWFJKBZGMYCS-NQIIRXRSSA-N
SMILES： COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Systematic name  (3)：
  • 5-メチル-7-[(R)-1-[(R)-1-ヒドロキシエチル]-4-フェニルブチル]-2-(3,4-ジメトキシベンジル)イミダゾ[5,1-f][1,2,4]トリアジン-4(3H)-オン
  • 2-[(3,4-ジメトキシフェニル)メチル]-7-[(2R,3R)-2-ヒドロキシ-6-フェニルヘキサン-3-イル]-5-メチル-3H,4H-イミダゾ[4,3-f][1,2,4]トリアジン-4-オン
  • 2-[(3,4-dimethoxyphenyl)methyl]-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methyl-3H,4H-imidazo[4,3-f][1,2,4]triazin-4-one
Other name (2)：
  • 5-Methyl-7-[(R)-1-[(R)-1-hydroxyethyl]-4-phenylbutyl]-2-(3,4-dimethoxybenzyl)imidazo[5,1-f][1,2,4]triazine-4(3H)-one
  • BAY-60-7550
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