Icilin

CAS Registry Number®

36945-98-9
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CAS Name

Icilin

Molecular Formula

C16H13N3O4

Molecular Mass

311.29

Cite this Page

Icilin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36945-98-9 (retrieved 2024-02-21) (CAS RN: 36945-98-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=RCEFMOGVOYEGJN-UHFFFAOYSA-N

SMILES

O=C1NC(=CCN1C2=C(O)C=CC=C2)C3=CC(N(=O)=O)=CC=C3

Canonical SMILES

O=C1NC(=CCN1C=2C=CC=CC2O)C=3C=CC=C(C3)N(=O)=O

Other Names for this Substance

  • 2(1H)-Pyrimidinone, 3,6-dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-
  • 3,6-Dihydro-1-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2(1H)-pyrimidinone
  • AG 3-5
  • Icilin
  • 1-(2-Hydroxyphenyl)-4-(3-nitrophenyl)-1,2,3,6-tetrahydropyrimidin-2-one

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