6-(methoxymethyl)-2-[(2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate

Systemtic Name: 6-(methoxymethyl)-2-[(2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Openeye Name: 6-(methoxymethyl)-2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate CAS Name: 6-(methoxymethyl)-2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-4-pyrimidinolate IUPAC Name: 6-(methoxymethyl)-2-[(2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]pyrimidin-4-olate Traditional Name: 2-[(2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C21H16N3O3S- MolecularWeight: 390.43504

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

COCC1=CC(=NC(=N1)SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-27-12-14-11-17(25)24-21(22-14)28-19-18(13-7-3-2-4-8-13)15-9-5-6-10-16(15)23-20(19)26/h2-11H,12H2,1H3,(H,23,26)(H,22,24,25)/p-1