Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

CAS Registry Number®

155405-80-4

CAS Name

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Molecular Formula

C16H16N4O3

Molecular Mass

312.32

Cite this Page

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=155405-80-4 (retrieved 2024-11-22) (CAS RN: 155405-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)

InChIKey

InChIKey=GDEKSBCRJKAARB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C1N=C(N)NC=2NC=C(C12)CCC3=CC=C(C=C3)C(=O)OC

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