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

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-fluorobenzyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C23H24FN5OS MolecularWeight: 437.532963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN5OS/c24-19-8-6-18(7-9-19)15-25-22(30)16-31-23-14-21(26-17-27-23)29-12-10-28(11-13-29)20-4-2-1-3-5-20/h1-9,14,17H,10-13,15-16H2,(H,25,30)