[2-methoxy-4-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=NC4=CC=CC=C4C3=O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=NC4=CC=CC=C4C3=O)C)OC

InChI

InChI=1S/C25H23N3O5S/c1-16-9-10-17(2)24(13-16)34(30,31)33-22-12-11-19(14-23(22)32-4)15-26-28-18(3)27-21-8-6-5-7-20(21)25(28)29/h5-15H,1-4H3