3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[5-(4-fluorophenyl)-4-thieno[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C17H20FN4S+ MolecularWeight: 331.430903

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCNC1=C2C(=CSC2=NC=N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4S/c1-22(2)9-3-8-19-16-15-14(10-23-17(15)21-11-20-16)12-4-6-13(18)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,19,20,21)/p+1