2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C25H34ClN5O3S MolecularWeight: 520.08716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34ClN5O3S/c1-4-5-6-7-12-27-23(32)17-35-25-28-21(26)15-22(29-25)30-13-14-31(18(2)16-30)24(33)19-8-10-20(34-3)11-9-19/h8-11,15,18H,4-7,12-14,16-17H2,1-3H3,(H,27,32)