Chem
J-GLOBAL ID：200907096441582401   Nikkaji number：J39.196D

SKF-93574

SKF-93574
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： C20H25N5O3S
Molecular formula furigana： C20-H25-N5-O3-S
Molecular weight： 415.510
InChI： InChI=1S/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChI key： MURUHMTVTKOWBY-UHFFFAOYSA-N
SMILES： CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3cc[nH]c(=O)c3)c[nH]2)o1
Systematic name  (5)：
  • 2-[[2-[[[5-[(ジメチルアミノ)メチル]フラン-2-イル]メチル]チオ]エチル]アミノ]-5-[[(1,2-ジヒドロ-2-オキソピリジン)-4-イル]メチル]ピリミジン-4(1H)-オン
  • 2-[[2-[[5-[(ジメチルアミノ)メチル]フラン-2-イル]メチルチオ]エチル]アミノ]-5-[[(2-オキソ-1,2-ジヒドロピリジン)-4-イル]メチル]ピリミジン-4(1H)-オン
  • 5-[(1,2-ジヒドロ-2-オキソピリジ-4-イル)メチル]-2-[[2-[[5-(ジメチルアミノメチル)フラン-2-イルメチル]チオ]エチル]アミノ]-4(1H)-ピリミジノン
  • 2-({2-[({5-[(ジメチルアミノ)メチル]フラン-2-イル}メチル)スルファニル]エチル}アミノ)-5-[(2-オキソ-1,2-ジヒドロピリジン-4-イル)メチル]-1,4-ジヒドロピリミジン-4-オン
  • 2-({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-5-[(2-oxo-1,2-dihydropyridin-4-yl)methyl]-1,4-dihydropyrimidin-4-one
Other name (4)：
  • ドネチジン
  • Donetidine
  • 5-[(1,2-Dihydro-2-oxopyridi-4-yl)methyl]-2-[[2-[[5-(dimethylaminomethyl)furan-2-ylmethyl]thio]ethyl]amino]-4(1H)-pyrimidinone
  • SKF-93574
CAS registry number： 99248-32-5
KEGG DRUG： D03889
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM