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

Systemtic Name: N-(4-chlorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[[6-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[[6-(4-phenylpiperazino)pyrimidin-4-yl]thio]acetamide Formula: C22H22ClN5OS MolecularWeight: 439.96098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=CC(=NC=N3)SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN5OS/c23-17-6-8-18(9-7-17)26-21(29)15-30-22-14-20(24-16-25-22)28-12-10-27(11-13-28)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2,(H,26,29)