(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-methyl-ammonium Formula: C22H21FN3O2S+ MolecularWeight: 410.484443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)F)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)F)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H20FN3O2S/c1-26(12-14-8-9-18(28-2)17(23)10-14)13-20-24-21(27)16-11-19(29-22(16)25-20)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,25,27)/p+1