2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-[4-(m-tolyl)piperazino]ethyl]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H29N5OS/c1-16-5-4-6-19(13-16)26-11-9-25(10-12-26)8-7-22-20(27)15-28-21-23-17(2)14-18(3)24-21/h4-6,13-14H,7-12,15H2,1-3H3,(H,22,27)