2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[(8-oxidanylquinolin-5-yl)methylsulfanyl]-1H-pyrimidin-6-one Openeye Name: 2-[(8-hydroxy-5-quinolyl)methylsulfanyl]-1H-pyrimidin-6-one CAS Name: 2-[(8-hydroxy-5-quinolinyl)methylthio]-1H-pyrimidin-6-one IUPAC Name: 2-[(8-hydroxyquinolin-5-yl)methylsulfanyl]-1H-pyrimidin-6-one Traditional Name: 2-[(8-hydroxy-5-quinolyl)methylthio]-1H-pyrimidin-6-one Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)