Chem
J-GLOBAL ID:200907050593504864   Nikkaji number:J22.641F

AG-3-5

AG-3-5
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: C16H13N2[N+]O3[O-]
Molecular formula furigana: C16-H13-N3-O4
Molecular weight: 311.297
InChI: InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21)
InChI key: RCEFMOGVOYEGJN-UHFFFAOYSA-N
SMILES: Oc1ccccc1N1CC=C(NC1=O)c1cccc(c1)[N+](=O)[O-]
Systematic name  (3):
  • 1-(2-ヒドロキシフェニル)-4-(3-ニトロフェニル)-3,6-ジヒドロピリミジン-2(1H)-オン
  • 3-(2-ヒドロキシフェニル)-6-(3-ニトロフェニル)-1,2,3,4-テトラヒドロピリミジン-2-オン
  • 3-(2-hydroxyphenyl)-6-(3-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-2-one
Other name (4):
  • AG-3-5
  • 1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-3,6-dihydropyrimidin-2(1H)-one
  • イシリン
  • Icilin
CAS registry number: 36945-98-9
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