2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]pyrimidin-4-olate Formula: C14H10N3O2S- MolecularWeight: 284.3131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)O)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)O)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-11-4-3-9(10-2-1-6-15-13(10)11)8-20-14-16-7-5-12(19)17-14/h1-7,18H,8H2,(H,16,17,19)/p-1