3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-ethyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-[4-(2-chlorophenyl)piperazino]-6-ethyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C24H25ClN4O2S MolecularWeight: 468.9989

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H25ClN4O2S/c1-2-19-15-22(29-12-10-28(11-13-29)21-9-4-3-8-20(21)25)27-24(26-19)32-16-17-6-5-7-18(14-17)23(30)31/h3-9,14-15H,2,10-13,16H2,1H3,(H,30,31)