2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H30ClN5OS MolecularWeight: 448.0245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCC(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)NCCC(C)C)Cl

InChI

InChI=1S/C22H30ClN5OS/c1-16(2)8-9-24-21(29)15-30-22-25-19(23)14-20(26-22)28-12-10-27(11-13-28)18-7-5-4-6-17(18)3/h4-7,14,16H,8-13,15H2,1-3H3,(H,24,29)