Chem
J-GLOBAL ID：200907093896564372   Nikkaji number：J1.683.121B

PY-957

5-[3-(2,4-ジアミノ-5-ピリミジニルメチル)-4-メトキシフェノキシ]吉草酸
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： C17H22N4O4
Molecular formula furigana： C17-H22-N4-O4
Molecular weight： 346.387
InChI： InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21)
InChI key： ALDCXILJAYAUTH-UHFFFAOYSA-N
SMILES： COc1ccc(OCCCCC(=O)O)cc1Cc1cnc(N)nc1N
Systematic name  (4)：
  • 5-[3-(2,4-ジアミノ-5-ピリミジニルメチル)-4-メトキシフェノキシ]吉草酸
  • 5-[3-[(2,4-ジアミノ-5-ピリミジニル)メチル]-4-メトキシフェノキシ]ペンタン酸
  • 5-{3-[(2,4-ジアミノピリミジン-5-イル)メチル]-4-メトキシフェノキシ}ペンタン酸
  • 5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid
Other name (3)：
  • 5-[3-(2,4-Diamino-5-pyrimidinylmethyl)-4-methoxyphenoxy]valeric acid
  • 5-[3-[(2,4-Diamino-5-pyrimidinyl)methyl]-4-methoxyphenoxy]pentanoic acid
  • PY-957
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