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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)ethanamide Openeye Name: 2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: 2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(3-methylbutyl)acetamide IUPAC Name: 2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-isoamyl-acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCC(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCC(C)C)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-16(2)9-10-25-21(30)15-32-23-26-19(24)13-20(27-23)28-11-12-29(17(3)14-28)22(31)18-7-5-4-6-8-18/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,25,30)