2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]-6-propyl-pyrimidin-4-olate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC2=C3C=CC=NC3=C(C=C2)O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC2=C3C=CC=NC3=C(C=C2)O)[O-]

InChI

InChI=1S/C17H17N3O2S/c1-2-4-12-9-15(22)20-17(19-12)23-10-11-6-7-14(21)16-13(11)5-3-8-18-16/h3,5-9,21H,2,4,10H2,1H3,(H,19,20,22)/p-1