Chem
J-GLOBAL ID：200907093691319782   Nikkaji number：J1.339.363J

[3H]MSX-2

3-(3-ヒドロキシプロピル)-8-(3-メトキシスチリル)-7-(3H)メチル-1-プロパルギルキサンチン
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： C21H21[3H]N4O4
Molecular formula furigana： C21-H22-N4-O4
Molecular weight： 396.439
InChI： InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/i2T
InChI key： FWLDDFYHEQMIGG-FUPOQFPWSA-N
SMILES： C([3H])n1c(C=Cc2cccc(OC)c2)nc2n(CCCO)c(=O)n(CC#C)c(=O)c12
Systematic name  (3)：
  • 3-(3-ヒドロキシプロピル)-8-(3-メトキシスチリル)-7-(3H)メチル-1-プロパルギルキサンチン
  • 3-(3-ヒドロキシプロピル)-8-[2-(3-メトキシフェニル)エテニル]-7-(3H1)メチル-1-(プロパ-2-イン-1-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
  • 3-(3-hydroxypropyl)-8-[2-(3-methoxyphenyl)ethenyl]-7-(3H1)methyl-1-(prop-2-yn-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (2)：
  • 3-(3-Hydroxypropyl)-8-(3-methoxystyryl)-7-(3H)methyl-1-propargylxanthine
  • [3H]MSX-2
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