10,10-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thioxanthen-9-one

Systemtic Name: 10,10-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thioxanthen-9-one Openeye Name: 10,10-dioxo-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thioxanthen-9-one CAS Name: 10,10-dioxo-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-9-thioxanthenone IUPAC Name: 10,10-dioxo-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thioxanthen-9-one Traditional Name: 10,10-diketo-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]thioxanthen-9-one Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C22H18N4O4S/c27-20-16-4-1-2-5-18(16)31(29,30)19-14-15(6-7-17(19)20)21(28)25-10-12-26(13-11-25)22-23-8-3-9-24-22/h1-9,14H,10-13H2