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

Systemtic Name: 2-[3-(4-methylpiperazin-1-yl)propyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[3-(4-methyl-1-piperazinyl)propyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[3-(4-methylpiperazino)propyl]-2-phenyl-3H-pyran-4-one Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3S/c1-27-15-17-28(18-16-27)14-8-13-26(22-11-6-3-7-12-22)19-23(29)24(25(30)31-26)32-20-21-9-4-2-5-10-21/h2-7,9-12,30H,8,13-20H2,1H3