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

Systemtic Name: 2-adamantyl-[[5-(4-fluorophenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium CAS Name: 2-adamantyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(4-fluorophenyl)-4-keto-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]ammonium Formula: C23H25FN3OS+ MolecularWeight: 410.527503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3OS/c24-17-3-1-14(2-4-17)18-11-29-23-20(18)22(28)26-19(27-23)10-25-21-15-6-12-5-13(8-15)9-16(21)7-12/h1-4,11-13,15-16,21,25H,5-10H2,(H,26,27,28)/p+1