4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-[4-(4-methoxyphenyl)piperazino]-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoic acid Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H28N4O3S/c1-36-25-13-11-24(12-14-25)32-15-17-33(18-16-32)27-19-26(22-5-3-2-4-6-22)30-29(31-27)37-20-21-7-9-23(10-8-21)28(34)35/h2-14,19H,15-18,20H2,1H3,(H,34,35)