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

Systemtic Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 4-[[[4-(4-ethyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 4-[[4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 4-[[[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=C(C=C4)C(=O)NCC5CCCO5

Isomeric SMILES

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

InChI

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