Chem
J-GLOBAL ID：201707011142430511   Nikkaji number：J3.649.998B

1-[4-(4-Methoxyphenylaminomethyl)-1H-pyrrole-3-ylmethyl]thymine

1-[4-(4-メトキシフェニルアミノメチル)-1H-ピロール-3-イルメチル]チミン
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： C18H20N4O3
Molecular formula furigana： C18-H20-N4-O3
Molecular weight： 340.383
InChI： InChI=1S/C18H20N4O3/c1-12-10-22(18(24)21-17(12)23)11-14-8-19-7-13(14)9-20-15-3-5-16(25-2)6-4-15/h3-8,10,19-20H,9,11H2,1-2H3,(H,21,23,24)
InChI key： JPVTXCMMYQEGOI-UHFFFAOYSA-N
SMILES： COc1ccc(NCc2c[nH]cc2Cn2cc(C)c(=O)[nH]c2=O)cc1
Systematic name  (3)：
  • 1-[4-(4-メトキシフェニルアミノメチル)-1H-ピロール-3-イルメチル]チミン
  • 1-[(4-{[(4-メトキシフェニル)アミノ]メチル}-1H-ピロール-3-イル)メチル]-5-メチル-1,2,3,4-テトラヒドロピリミジン-2,4-ジオン
  • 1-[(4-{[(4-methoxyphenyl)amino]methyl}-1H-pyrrol-3-yl)methyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1)：
  • 1-[4-(4-Methoxyphenylaminomethyl)-1H-pyrrole-3-ylmethyl]thymine
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