3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-isobutyl-benzamide Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C24H33N5O2S/c1-5-21-14-22(29-11-9-28(10-12-29)18(4)30)27-24(26-21)32-16-19-7-6-8-20(13-19)23(31)25-15-17(2)3/h6-8,13-14,17H,5,9-12,15-16H2,1-4H3,(H,25,31)