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(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium

(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium

Systemtic Name:(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
Openeye Name:(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-fluorophenyl)sulfanylethyl]ammonium
CAS Name:(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-[(2-fluorophenyl)thio]ethyl]ammonium
IUPAC Name:(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
Traditional Name:ethyl-[2-[(2-fluorophenyl)thio]ethyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium
Formula: C21H25FN3O3S+
MolecularWeight: 418.504903
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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCSC1=CC=CC=C1F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC


Isomeric SMILES

CC[NH+](CCSC1=CC=CC=C1F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC


InChI

InChI=1S/C21H24FN3O3S/c1-4-25(9-10-29-19-8-6-5-7-15(19)22)13-20-23-16-12-18(28-3)17(27-2)11-14(16)21(26)24-20/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,24,26)/p+1


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