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

Systemtic Name: 1-adamantylmethyl-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 1-adamantylmethyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 1-adamantylmethyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: 1-adamantylmethyl-[[5-(4-fluorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C24H27FN3OS+ MolecularWeight: 424.554083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=NC5=C(C(=CS5)C6=CC=C(C=C6)F)C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH2+]CC4=NC5=C(C(=CS5)C6=CC=C(C=C6)F)C(=O)N4

InChI

InChI=1S/C24H26FN3OS/c25-18-3-1-17(2-4-18)19-12-30-23-21(19)22(29)27-20(28-23)11-26-13-24-8-14-5-15(9-24)7-16(6-14)10-24/h1-4,12,14-16,26H,5-11,13H2,(H,27,28,29)/p+1