[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2-methylsulfanylphenoxy)methyl]isoxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-[[2-(methylthio)phenoxy]methyl]isoxazol-3-yl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21N5O3S/c1-29-18-6-3-2-5-17(18)27-14-15-13-16(23-28-15)19(26)24-9-11-25(12-10-24)20-21-7-4-8-22-20/h2-8,13H,9-12,14H2,1H3