3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C29H35N5O2S MolecularWeight: 517.6855

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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)NCC5CCCO5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5CCCO5

InChI

InChI=1S/C29H35N5O2S/c1-2-33-13-15-34(16-14-33)27-19-26(23-9-4-3-5-10-23)31-29(32-27)37-21-22-8-6-11-24(18-22)28(35)30-20-25-12-7-17-36-25/h3-6,8-11,18-19,25H,2,7,12-17,20-21H2,1H3,(H,30,35)