3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H26N4O2S/c1-2-27-11-13-28(14-12-27)22-16-21(19-8-4-3-5-9-19)25-24(26-22)31-17-18-7-6-10-20(15-18)23(29)30/h3-10,15-16H,2,11-14,17H2,1H3,(H,29,30)