3-(4-chlorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4OS/c18-14-2-4-15(5-3-14)24-13-6-16(23)21-9-11-22(12-10-21)17-19-7-1-8-20-17/h1-5,7-8H,6,9-13H2