1,3,6,7-tetramethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-xanthen-9-one

Systemtic Name: 1,3,6,7-tetramethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-xanthen-9-one Openeye Name: 1,3,6,7-tetramethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-xanthen-9-one CAS Name: 1,3,6,7-tetramethoxy-4-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-9-xanthenone IUPAC Name: 1,3,6,7-tetramethoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylxanthen-9-one Traditional Name: 1,3,6,7-tetramethoxy-4-[4-(2-pyrimidyl)piperazino]sulfonyl-xanthone Formula: C25H26N4O8S MolecularWeight: 542.56094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)OC

Isomeric SMILES

COC1=CC(=C(C2=C1C(=O)C3=CC(=C(C=C3O2)OC)OC)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5)OC

InChI

InChI=1S/C25H26N4O8S/c1-33-17-12-15-16(13-18(17)34-2)37-23-21(22(15)30)19(35-3)14-20(36-4)24(23)38(31,32)29-10-8-28(9-11-29)25-26-6-5-7-27-25/h5-7,12-14H,8-11H2,1-4H3