[2-(phenylmethylsulfanyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(phenylmethylsulfanyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-benzylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-(phenylmethylthio)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-benzylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(benzylthio)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N4OS MolecularWeight: 390.50128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c27-21(25-13-15-26(16-14-25)22-23-11-6-12-24-22)19-9-4-5-10-20(19)28-17-18-7-2-1-3-8-18/h1-12H,13-17H2