(5-cyano-2-fluoranyl-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: (5-cyano-2-fluoro-phenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (5-cyano-2-fluorophenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (5-cyano-2-fluorophenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (5-cyano-2-fluoro-benzyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CC1=C(C=CC(=C1)C#N)F)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H21FN4O3/c1-4-26(11-14-7-13(10-23)5-6-16(14)22)12-20-24-17-9-19(29-3)18(28-2)8-15(17)21(27)25-20/h5-9H,4,11-12H2,1-3H3,(H,24,25,27)/p+1