3-chloranyl-4-[4-[(3-fluorophenyl)methoxy]-2-phenylazanyl-quinazolin-6-yl]furan-2-carbaldehyde; 4-methylbenzenesulfonate

Systemtic Name: 3-chloranyl-4-[4-[(3-fluorophenyl)methoxy]-2-phenylazanyl-quinazolin-6-yl]furan-2-carbaldehyde; 4-methylbenzenesulfonate Openeye Name: 4-[2-anilino-4-[(3-fluorophenyl)methoxy]quinazolin-6-yl]-3-chloro-furan-2-carbaldehyde; 4-methylbenzenesulfonate CAS Name: 4-[2-anilino-4-[(3-fluorophenyl)methoxy]-6-quinazolinyl]-3-chloro-2-furancarboxaldehyde; 4-methylbenzenesulfonate IUPAC Name: 4-[2-anilino-4-[(3-fluorophenyl)methoxy]quinazolin-6-yl]-3-chlorofuran-2-carbaldehyde; 4-methylbenzenesulfonate Traditional Name: 4-[2-anilino-4-(3-fluorobenzyl)oxy-quinazolin-6-yl]-3-chloro-furfural tosylate Formula: C33H24ClFN3O6S- MolecularWeight: 645.076563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C4=COC(=C4Cl)C=O)C(=N2)OCC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C4=COC(=C4Cl)C=O)C(=N2)OCC5=CC(=CC=C5)F

InChI

InChI=1S/C26H17ClFN3O3.C7H8O3S/c27-24-21(15-33-23(24)13-32)17-9-10-22-20(12-17)25(34-14-16-5-4-6-18(28)11-16)31-26(30-22)29-19-7-2-1-3-8-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-13,15H,14H2,(H,29,30,31);2-5H,1H3,(H,8,9,10)/p-1