2-[[4-[([1,1′-Biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]octanoic acid

CAS Registry Number®

1077626-52-8
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CAS Name

2-[[4-[([1,1′-Biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]octanoic acid

Molecular Formula

C25H28ClN3O2S

Molecular Mass

470.03

Cite this Page

2-[[4-[([1,1′-Biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]octanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1077626-52-8 (retrieved 2024-09-07) (CAS RN: 1077626-52-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28ClN3O2S/c1-2-3-4-8-11-21(24(30)31)32-25-28-22(26)16-23(29-25)27-17-18-12-14-20(15-13-18)19-9-6-5-7-10-19/h5-7,9-10,12-16,21H,2-4,8,11,17H2,1H3,(H,30,31)(H,27,28,29)

InChIKey

InChIKey=FQMPYBCEABTPIK-UHFFFAOYSA-N

SMILES

S(C(CCCCCC)C(O)=O)C=1N=C(NCC2=CC=C(C=C2)C3=CC=CC=C3)C=C(Cl)N1

Canonical SMILES

O=C(O)C(SC1=NC(Cl)=CC(=N1)NCC=2C=CC(=CC2)C=3C=CC=CC3)CCCCCC

Other Names for this Substance

  • Octanoic acid, 2-[[4-[([1,1′-biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]-
  • 2-[[4-[([1,1′-Biphenyl]-4-ylmethyl)amino]-6-chloro-2-pyrimidinyl]thio]octanoic acid
  • Cay 10589
  • CAY 10589