4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[[4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[[[4-[4-(4-methoxyphenyl)piperazino]-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-pyridylmethyl)benzamide Formula: C35H34N6O2S MolecularWeight: 602.74846

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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)NCC6=CC=CC=N6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC5=CC=C(C=C5)C(=O)NCC6=CC=CC=N6

InChI

InChI=1S/C35H34N6O2S/c1-43-31-16-14-30(15-17-31)40-19-21-41(22-20-40)33-23-32(27-7-3-2-4-8-27)38-35(39-33)44-25-26-10-12-28(13-11-26)34(42)37-24-29-9-5-6-18-36-29/h2-18,23H,19-22,24-25H2,1H3,(H,37,42)