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

Systemtic Name: 5-[[4-phenyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[[4-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furoic acid Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(O5)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(O5)C(=O)O

InChI

InChI=1S/C27H26N4O3S/c32-26(33)24-12-11-22(34-24)19-35-27-28-23(21-9-5-2-6-10-21)17-25(29-27)31-15-13-30(14-16-31)18-20-7-3-1-4-8-20/h1-12,17H,13-16,18-19H2,(H,32,33)