[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] 4-[(2-methylquinolin-4-yl)methoxy]benzenesulfonate

Systemtic Name: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] 4-[(2-methylquinolin-4-yl)methoxy]benzenesulfonate Openeye Name: (2,4-dioxo-1H-pyrimidin-5-yl) 4-[(2-methyl-4-quinolyl)methoxy]benzenesulfonate CAS Name: 4-[(2-methyl-4-quinolinyl)methoxy]benzenesulfonic acid (2,4-dioxo-1H-pyrimidin-5-yl) ester IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl) 4-[(2-methylquinolin-4-yl)methoxy]benzenesulfonate Traditional Name: 4-[(2-methyl-4-quinolyl)methoxy]benzenesulfonic acid (2,4-diketo-1H-pyrimidin-5-yl) ester Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)OC4=CNC(=O)NC4=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)S(=O)(=O)OC4=CNC(=O)NC4=O

InChI

InChI=1S/C21H17N3O6S/c1-13-10-14(17-4-2-3-5-18(17)23-13)12-29-15-6-8-16(9-7-15)31(27,28)30-19-11-22-21(26)24-20(19)25/h2-11H,12H2,1H3,(H2,22,24,25,26)