3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(1-phenylethyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(1-phenylethyl)benzamide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C28H35N5OS/c1-5-32-14-16-33(17-15-32)26-20(2)21(3)30-28(31-26)35-19-23-10-9-13-25(18-23)27(34)29-22(4)24-11-7-6-8-12-24/h6-13,18,22H,5,14-17,19H2,1-4H3,(H,29,34)