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

Systemtic Name: N-ethyl-3-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-methyl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methyl-benzamide CAS Name: N-ethyl-3-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-methylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-ethyl-N-methylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-N-methyl-benzamide Formula: C28H35N5OS MolecularWeight: 489.6754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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