2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-octanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-octanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[[4-(4-caprylyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(3,4-dimethylphenyl)acetamide Formula: C27H38ClN5O2S MolecularWeight: 532.14092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C)C)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C)C)Cl

InChI

InChI=1S/C27H38ClN5O2S/c1-5-6-7-8-9-10-26(35)33-14-13-32(17-21(33)4)24-16-23(28)30-27(31-24)36-18-25(34)29-22-12-11-19(2)20(3)15-22/h11-12,15-16,21H,5-10,13-14,17-18H2,1-4H3,(H,29,34)