cyclooctyl-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium

Systemtic Name: cyclooctyl-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: cyclooctyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: cyclooctyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: cyclooctyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: cyclooctyl-[[5-(4-fluorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=NC3=C(C(=CS3)C4=CC=C(C=C4)F)C(=O)N2

InChI

InChI=1S/C21H24FN3OS/c22-15-10-8-14(9-11-15)17-13-27-21-19(17)20(26)24-18(25-21)12-23-16-6-4-2-1-3-5-7-16/h8-11,13,16,23H,1-7,12H2,(H,24,25,26)/p+1