9-[2-[5-(4-methylpiperazin-1-yl)pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol

Systemtic Name: 9-[2-[5-(4-methylpiperazin-1-yl)pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Openeye Name: 9-[2-[5-(4-methylpiperazin-1-yl)pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol CAS Name: 9-[2-[5-(4-methyl-1-piperazinyl)pent-3-ynyl]-1,3-dithian-2-yl]-9-xanthenol IUPAC Name: 9-[2-[5-(4-methylpiperazin-1-yl)pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Traditional Name: 9-[2-[5-(4-methylpiperazino)pent-3-ynyl]-1,3-dithian-2-yl]xanthen-9-ol Formula: C27H32N2O2S2 MolecularWeight: 480.68518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4OC5=CC=CC=C53)O

Isomeric SMILES

CN1CCN(CC1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4OC5=CC=CC=C53)O

InChI

InChI=1S/C27H32N2O2S2/c1-28-16-18-29(19-17-28)15-8-2-7-14-26(32-20-9-21-33-26)27(30)22-10-3-5-12-24(22)31-25-13-6-4-11-23(25)27/h3-6,10-13,30H,7,9,14-21H2,1H3