4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

CAS Registry Number®

137281-39-1

CAS Name

4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid

Molecular Formula

C15H14N4O3

Molecular Mass

298.30

Cite this Page

4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137281-39-1 (retrieved 2024-11-24) (CAS RN: 137281-39-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)

InChIKey

InChIKey=AIZPFZIKHIJCQX-UHFFFAOYSA-N

SMILES

C(CC1=CC=C(C(O)=O)C=C1)C=2C3=C(NC2)NC(N)=NC3=O

Canonical SMILES

O=C(O)C1=CC=C(C=C1)CCC2=CNC=3NC(=NC(=O)C23)N

Other Names for this Substance

  • Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
  • Benzoic acid, 4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-
  • 1H-Pyrrolo[2,3-d]pyrimidine, benzoic acid deriv.
  • 4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
  • Pemetrexed acid

CAS INSIGHTSTM
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