Chem
J-GLOBAL ID:200907050970682128   Nikkaji number:J1.903.028H

1-Phenyl-5-oxo-6-nitroso-7-anilino-1,5-dihydro-1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylic acid methyl ester

1-フェニル-5-オキソ-6-ニトロソ-7-アニリノ-1,5-ジヒドロ-1,2,4-トリアゾロ[4,3-a]ピリミジン-3-カルボン酸メチル
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: C19H14N6O4
Molecular formula furigana: C19-H14-N6-O4
Molecular weight: 390.359
InChI: InChI=1S/C19H14N6O4/c1-29-18(27)16-22-25(13-10-6-3-7-11-13)19-21-15(14(23-28)17(26)24(16)19)20-12-8-4-2-5-9-12/h2-11,20H,1H3
InChI key: ALNPXAHGKUXXME-UHFFFAOYSA-N
SMILES: COC(=O)c1nn(c2ccccc2)c2nc(Nc3ccccc3)c(N=O)c(=O)n12
Systematic name  (3):
  • 1-フェニル-5-オキソ-6-ニトロソ-7-アニリノ-1,5-ジヒドロ-1,2,4-トリアゾロ[4,3-a]ピリミジン-3-カルボン酸メチル
  • メチル 6-ニトロソ-5-オキソ-1-フェニル-7-(フェニルアミノ)-1H,5H-[1,2,4]トリアゾロ[4,3-a]ピリミジン-3-カルボキシラート
  • methyl 6-nitroso-5-oxo-1-phenyl-7-(phenylamino)-1H,5H-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
Other name (1):
  • 1-Phenyl-5-oxo-6-nitroso-7-anilino-1,5-dihydro-1,2,4-triazolo[4,3-a]pyrimidine-3-carboxylic acid methyl ester
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