methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C23H24ClFN3O4S+ MolecularWeight: 492.970763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC[NH+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H23ClFN3O4S/c1-31-22(30)15-5-6-16-20(13-15)26-23(33-14-17-18(24)3-2-4-19(17)25)28(21(16)29)8-7-27-9-11-32-12-10-27/h2-6,13H,7-12,14H2,1H3/p+1