1-adamantyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1-adamantyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1-adamantyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1-adamantyl-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium Traditional Name: 1-adamantyl-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]ammonium Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=NC5=C(C=C(S5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C23H25N3OS/c27-21-18-9-19(17-4-2-1-3-5-17)28-22(18)26-20(25-21)13-24-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,9,14-16,24H,6-8,10-13H2,(H,25,26,27)/p+1