6-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate

Systemtic Name: 6-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate Openeye Name: 6-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate CAS Name: 6-oxo-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-1H-pyrimidin-2-olate IUPAC Name: 6-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate Traditional Name: 6-keto-5-[4-(2-pyrimidyl)piperazino]sulfonyl-1H-pyrimidin-2-olate Formula: C12H13N6O4S- MolecularWeight: 337.33442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C12H14N6O4S/c19-10-9(8-15-12(20)16-10)23(21,22)18-6-4-17(5-7-18)11-13-2-1-3-14-11/h1-3,8H,4-7H2,(H2,15,16,19,20)/p-1