5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-6-oxidanylidene-1H-pyrimidin-2-olate

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-6-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-6-oxo-1H-pyrimidin-2-olate IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-6-keto-1H-pyrimidin-2-olate Formula: C16H15N4O4S2- MolecularWeight: 391.4447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CN=C(NC4=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CN=C(NC4=O)[O-]

InChI

InChI=1S/C16H16N4O4S2/c21-14-13(9-17-16(22)19-14)26(23,24)20-7-5-10(6-8-20)15-18-11-3-1-2-4-12(11)25-15/h1-4,9-10H,5-8H2,(H2,17,19,21,22)/p-1