2-[2-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(6-methoxy-2,2,4-trimethyl-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(6-methoxy-2,2,4-trimethyl-1-quinolyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(6-methoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(6-methoxy-2,2,4-trimethyl-1-quinolyl)ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C25H24N3O3S- MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OC)C(=O)CSC3=NC(=CC(=N3)[O-])C4=CC=CC=C4)(C)C

InChI

InChI=1S/C25H25N3O3S/c1-16-14-25(2,3)28(21-11-10-18(31-4)12-19(16)21)23(30)15-32-24-26-20(13-22(29)27-24)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3,(H,26,27,29)/p-1