Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

CAS Registry Number®

1011716-97-4

CAS Name

Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

Molecular Formula

C14H11N3O3

Molecular Mass

269.26

Cite this Page

Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1011716-97-4 (retrieved 2025-01-30) (CAS RN: 1011716-97-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H11N3O3/c1-20-14(19)9-4-2-8(3-5-9)11-6-10-12(17-11)15-7-16-13(10)18/h2-7H,1H3,(H2,15,16,17,18)

InChIKey

InChIKey=XUUPVSZFBSJLBC-UHFFFAOYSA-N

SMILES

O=C1C=2C=C(NC2NC=N1)C3=CC=C(C(OC)=O)C=C3

Canonical SMILES

O=C1N=CNC=2NC(=CC12)C=3C=CC(=CC3)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-, methyl ester
  • Methyl 4-(4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate
  • Methyl 4-(4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate