2-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[2-(4-methyl-1-piperazinyl)ethyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[2-(4-methylpiperazino)ethyl]-2-phenyl-3H-pyran-4-one Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3S/c1-26-14-16-27(17-15-26)13-12-25(21-10-6-3-7-11-21)18-22(28)23(24(29)30-25)31-19-20-8-4-2-5-9-20/h2-11,29H,12-19H2,1H3