2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[4-chloranyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[[4-chloro-6-(4-ethyl-1-piperazinyl)-2-pyrimidinyl]thio]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[[4-chloro-6-(4-ethylpiperazino)pyrimidin-2-yl]thio]-N-(4-fluorobenzyl)acetamide Formula: C19H23ClFN5OS MolecularWeight: 423.935223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C19H23ClFN5OS/c1-2-25-7-9-26(10-8-25)17-11-16(20)23-19(24-17)28-13-18(27)22-12-14-3-5-15(21)6-4-14/h3-6,11H,2,7-10,12-13H2,1H3,(H,22,27)