Chem
J-GLOBAL ID:201707010244745359   Nikkaji number:J3.649.999K

2-(4-Methoxyphenyl)-3-(phenylthiomethyl)-4-(3-benzoylthymine-1-ylmethyl)furan

2-(4-メトキシフェニル)-3-(フェニルチオメチル)-4-(3-ベンゾイルチミン-1-イルメチル)フラン
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: C31H26N2O5S
Molecular formula furigana: C31-H26-N2-O5-S
Molecular weight: 538.620
InChI: InChI=1S/C31H26N2O5S/c1-21-17-32(31(36)33(29(21)34)30(35)23-9-5-3-6-10-23)18-24-19-38-28(22-13-15-25(37-2)16-14-22)27(24)20-39-26-11-7-4-8-12-26/h3-17,19H,18,20H2,1-2H3
InChI key: CSZCBDIKGHRBJH-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c1occ(Cn2cc(C)c(=O)n(C(=O)c3ccccc3)c2=O)c1CSc1ccccc1
Systematic name  (3):
  • 2-(4-メトキシフェニル)-3-(フェニルチオメチル)-4-(3-ベンゾイルチミン-1-イルメチル)フラン
  • 3-ベンゾイル-1-{[5-(4-メトキシフェニル)-4-[(フェニルスルファニル)メチル]フラン-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
  • 3-benzoyl-1-{[5-(4-methoxyphenyl)-4-[(phenylsulfanyl)methyl]furan-3-yl]methyl}-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Other name (1):
  • 2-(4-Methoxyphenyl)-3-(phenylthiomethyl)-4-(3-benzoylthymine-1-ylmethyl)furan
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