[(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethyl-azanium

Systemtic Name: [(1R)-1-(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethyl-azanium Openeye Name: [(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethyl-ammonium CAS Name: [(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethylammonium IUPAC Name: [(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethylazanium Traditional Name: [(1R)-1-(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-phenethyl-ammonium Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS/c1-15(23-13-12-16-8-4-2-5-9-16)20-24-21(26)19-18(14-27-22(19)25-20)17-10-6-3-7-11-17/h2-11,14-15,23H,12-13H2,1H3,(H,24,25,26)/p+1/t15-/m1/s1