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

Systemtic Name: 6-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate Openeye Name: 6-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate CAS Name: 6-oxo-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]-1H-pyrimidin-2-olate IUPAC Name: 6-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-1H-pyrimidin-2-olate Traditional Name: 6-keto-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-1H-pyrimidin-2-olate Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C13H15N5O4S/c19-12-10(9-15-13(20)16-12)23(21,22)18-7-5-17(6-8-18)11-3-1-2-4-14-11/h1-4,9H,5-8H2,(H2,15,16,19,20)