Chem
J-GLOBAL ID:200907016339117245   Nikkaji number:J2.289.032H

1-(2-Nitrobenzyl)-2-(2-nitrobenzylthio)-5-(4-morpholinylmethyl)pyrimidine-4(1H)-one

1-(2-ニトロベンジル)-2-(2-ニトロベンジルチオ)-5-(4-モルホリニルメチル)ピリミジン-4(1H)-オン
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: C23H23N3[N+]2O4[O-]2S
Molecular formula furigana: C23-H23-N5-O6-S
Molecular weight: 497.530
InChI: InChI=1S/C23H23N5O6S/c29-22-19(13-25-9-11-34-12-10-25)15-26(14-17-5-1-3-7-20(17)27(30)31)23(24-22)35-16-18-6-2-4-8-21(18)28(32)33/h1-8,15H,9-14,16H2
InChI key: KWAMQWIUDUVFQT-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1CSc1nc(=O)c(CN2CCOCC2)cn1Cc1ccccc1[N+](=O)[O-]
Systematic name  (3):
  • 1-(2-ニトロベンジル)-2-(2-ニトロベンジルチオ)-5-(4-モルホリニルメチル)ピリミジン-4(1H)-オン
  • 5-[(モルホリン-4-イル)メチル]-1-[(2-ニトロフェニル)メチル]-2-{[(2-ニトロフェニル)メチル]スルファニル}-1,4-ジヒドロピリミジン-4-オン
  • 5-[(morpholin-4-yl)methyl]-1-[(2-nitrophenyl)methyl]-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyrimidin-4-one
Other name (1):
  • 1-(2-Nitrobenzyl)-2-(2-nitrobenzylthio)-5-(4-morpholinylmethyl)pyrimidine-4(1H)-one
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