3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C29H35N5O2S MolecularWeight: 517.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CCCO3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H35N5O2S/c1-22-17-27(34-14-12-33(13-15-34)20-23-7-3-2-4-8-23)32-29(31-22)37-21-24-9-5-10-25(18-24)28(35)30-19-26-11-6-16-36-26/h2-5,7-10,17-18,26H,6,11-16,19-21H2,1H3,(H,30,35)