3-(4-fluorophenyl)sulfanylpropyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 3-(4-fluorophenyl)sulfanylpropyl-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 3-(4-fluorophenyl)sulfanylpropyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 3-[(4-fluorophenyl)thio]propyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 3-(4-fluorophenyl)sulfanylpropyl-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 3-[(4-fluorophenyl)thio]propyl-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]ammonium Formula: C16H17FN3OS2+ MolecularWeight: 350.454083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCCC[NH2+]CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

C1=CC(=CC=C1F)SCCC[NH2+]CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C16H16FN3OS2/c17-11-2-4-12(5-3-11)22-8-1-7-18-10-14-19-13-6-9-23-15(13)16(21)20-14/h2-6,9,18H,1,7-8,10H2,(H,19,20,21)/p+1