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

Systemtic Name: [4-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(methylthio)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(methylthio)methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4OS/c1-23-13-14-3-5-15(6-4-14)16(22)20-9-11-21(12-10-20)17-18-7-2-8-19-17/h2-8H,9-13H2,1H3