5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(3H)-pyrimidinone

CAS Registry Number®

72716-71-3

CAS Name

5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(3H)-pyrimidinone

Molecular Formula

C12H10N4O5

Molecular Mass

290.23

Cite this Page

5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(3H)-pyrimidinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72716-71-3 (retrieved 2024-11-22) (CAS RN: 72716-71-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10N4O5/c17-11-8(5-13-12(14-11)15-16(18)19)3-7-1-2-9-10(4-7)21-6-20-9/h1-2,4-5H,3,6H2,(H2,13,14,15,17)

InChIKey

InChIKey=CYDVFWXIUURXJS-UHFFFAOYSA-N

SMILES

C(C=1C=C2C(=CC1)OCO2)C=3C(=O)NC(NN(=O)=O)=NC3

Canonical SMILES

O=C1NC(=NC=C1CC2=CC=C3OCOC3=C2)NN(=O)=O

Other Names for this Substance

  • 4(3H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-
  • 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-
  • 5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-4(3H)-pyrimidinone

CAS INSIGHTSTM
Targeted protein degrader structure, illustration