diethyl-[2-[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[(3-fluoro-4-methoxyphenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[(3-fluoro-4-methoxy-benzyl)thio]-4-keto-quinazolin-3-yl]ethyl]ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H26FN3O2S/c1-4-25(5-2)12-13-26-21(27)17-8-6-7-9-19(17)24-22(26)29-15-16-10-11-20(28-3)18(23)14-16/h6-11,14H,4-5,12-13,15H2,1-3H3/p+1