5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-[4-(2-chlorophenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[4-(2-chlorophenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-[4-(2-chlorophenyl)piperazino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(O5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(O5)C(=O)O

InChI

InChI=1S/C26H23ClN4O3S/c27-20-8-4-5-9-22(20)30-12-14-31(15-13-30)24-16-21(18-6-2-1-3-7-18)28-26(29-24)35-17-19-10-11-23(34-19)25(32)33/h1-11,16H,12-15,17H2,(H,32,33)