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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC(C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H30ClN5O2S/c1-4-8-22(31)29-12-11-28(14-16(29)2)20-13-19(24)26-23(27-20)32-15-21(30)25-17(3)18-9-6-5-7-10-18/h5-7,9-10,13,16-17H,4,8,11-12,14-15H2,1-3H3,(H,25,30)