(2-methoxy-4-methylsulfanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2S/c1-23-15-12-13(24-2)4-5-14(15)16(22)20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11H2,1-2H3