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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3

InChI

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