3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid

CAS Registry Number®

1883602-21-8
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CAS Name

3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid

Molecular Formula

C18H13N3O3S2

Molecular Mass

383.44

Cite this Page

3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1883602-21-8 (retrieved 2024-09-08) (CAS RN: 1883602-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237-239 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24)

InChIKey

InChIKey=RJQYGCGMQYVVIB-UHFFFAOYSA-N

SMILES

C(#N)C1=C(NC(SCC2=CC(CC(O)=O)=CC=C2)=NC1=O)C3=CC=CS3

Canonical SMILES

N#CC=1C(=O)N=C(SCC2=CC=CC(=C2)CC(=O)O)NC1C=3SC=CC3

Other Names for this Substance

  • Benzeneacetic acid, 3-[[[5-cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]-
  • 3-[[[5-Cyano-1,6-dihydro-6-oxo-4-(2-thienyl)-2-pyrimidinyl]thio]methyl]benzeneacetic acid