2-[4-chloranyl-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoic acid

Systemtic Name: 2-[4-chloranyl-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoic acid Openeye Name: 2-[4-chloro-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoic acid CAS Name: 2-[[4-chloro-6-[(4-phenylphenyl)methylamino]-2-pyrimidinyl]thio]octanoic acid IUPAC Name: 2-[4-chloro-6-[(4-phenylphenyl)methylamino]pyrimidin-2-yl]sulfanyloctanoic acid Traditional Name: 2-[[4-chloro-6-[(4-phenylbenzyl)amino]pyrimidin-2-yl]thio]caprylic acid Formula: C25H28ClN3O2S MolecularWeight: 470.02672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NCC2=CC=C(C=C2)C3=CC=CC=C3

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)