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

Systemtic Name: [3-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[(methylthio)methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-(methylsulfanylmethyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[(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=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

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

InChI

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