6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[4-(2-pyridyl)piperazin-1-yl]-1H-pyrimidin-4-one CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[4-(2-pyridinyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[4-(2-pyridyl)piperazino]-1H-pyrimidin-4-one Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5OS/c21-15-4-6-17(7-5-15)28-14-16-13-19(27)24-20(23-16)26-11-9-25(10-12-26)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2,(H,23,24,27)