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

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(methoxymethyl)pyrimidin-4-olate Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(methoxymethyl)pyrimidin-4-olate CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-6-(methoxymethyl)-4-pyrimidinolate IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-6-(methoxymethyl)pyrimidin-4-olate Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-6-(methoxymethyl)pyrimidin-4-olate Formula: C21H15ClN3O3S- MolecularWeight: 424.8801

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

COCC1=CC(=NC(=N1)SC2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H16ClN3O3S/c1-28-11-14-10-17(26)25-21(23-14)29-19-18(12-5-3-2-4-6-12)15-9-13(22)7-8-16(15)24-20(19)27/h2-10H,11H2,1H3,(H,24,27)(H,23,25,26)/p-1