3-[[4,5-dimethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide

Systemtic Name: 3-[[4,5-dimethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide Openeye Name: 3-[[4-(4-benzylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-ethyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-ethylbenzamide IUPAC Name: 3-[[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-ethylbenzamide Traditional Name: 3-[[[4-(4-benzylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-ethyl-benzamide Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)CSC2=NC(=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H33N5OS/c1-4-28-26(33)24-12-8-11-23(17-24)19-34-27-29-21(3)20(2)25(30-27)32-15-13-31(14-16-32)18-22-9-6-5-7-10-22/h5-12,17H,4,13-16,18-19H2,1-3H3,(H,28,33)