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

Systemtic Name: 2-[4-chloranyl-6-(4-ethanoyl-3-methyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-(4-acetyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-(4-acetyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[4-(4-acetyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[[4-(4-acetyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C23H30ClN5O2S MolecularWeight: 476.0346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C)C2=CC(=NC(=N2)SCC(=O)NC(C)CCC3=CC=CC=C3)Cl

InChI

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