3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-(2-methoxyethyl)benzamide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCCOC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O2S/c1-3-25-19-26(33-15-13-32(14-16-33)20-22-8-5-4-6-9-22)31-28(30-25)36-21-23-10-7-11-24(18-23)27(34)29-12-17-35-2/h4-11,18-19H,3,12-17,20-21H2,1-2H3,(H,29,34)