Chem
J-GLOBAL ID:200907025815225760   Nikkaji number:J2.297.688E

[[[2-[4-[(1,2-Dihydro-2-oxo-4-aminopyrimidine-1-yl)methyl]phenyl]-3-oxylato-1H-imidazole-3-ium]-1-yl]oxy]radical

(2-{4-[(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)メチル]フェニル}-3-オキシド-1H-イミダゾール-3-イウム-1-イル)オキシダニル
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: C14H12N4[N+]O2[O-]
Molecular formula furigana: C14-H12-N5-O3
Molecular weight: 298.282
InChI: InChI=1S/C14H12N5O3/c15-12-5-6-17(14(20)16-12)9-10-1-3-11(4-2-10)13-18(21)7-8-19(13)22/h1-8H,9H2,(H2,15,16,20)
InChI key: MMQDQUVJAKDGIS-UHFFFAOYSA-N
SMILES: Nc1ccn(Cc2ccc(cc2)c2n([O])cc[n+]2[O-])c(=O)n1
Systematic name  (3):
  • [[[2-[4-[(1,2-ジヒドロ-2-オキソ-4-アミノピリミジン-1-イル)メチル]フェニル]-3-オキシラト-1H-イミダゾール-3-イウム]-1-イル]オキシ]ラジカル
  • (2-{4-[(4-アミノ-2-オキソ-1,2-ジヒドロピリミジン-1-イル)メチル]フェニル}-3-オキシド-1H-イミダゾール-3-イウム-1-イル)オキシダニル
  • (2-{4-[(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)methyl]phenyl}-3-oxido-1H-imidazol-3-ium-1-yl)oxidanyl
Other name (1):
  • [[[2-[4-[(1,2-Dihydro-2-oxo-4-aminopyrimidine-1-yl)methyl]phenyl]-3-oxylato-1H-imidazole-3-ium]-1-yl]oxy]radical
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