N-[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-chloro-2-(4-ethylpiperazino)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H26ClN5OS/c1-4-25-8-10-26(11-9-25)19-16(21)6-5-7-17(19)24-18(27)13-28-20-22-14(2)12-15(3)23-20/h5-7,12H,4,8-11,13H2,1-3H3,(H,24,27)