3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-(4-fluorophenyl)benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(4-fluorophenyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(4-fluorophenyl)benzamide Formula: C26H30FN5OS MolecularWeight: 479.612703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN5OS/c1-4-31-12-14-32(15-13-31)24-18(2)19(3)28-26(30-24)34-17-20-6-5-7-21(16-20)25(33)29-23-10-8-22(27)9-11-23/h5-11,16H,4,12-15,17H2,1-3H3,(H,29,33)