5-phenyl-2-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(1R)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(1R)-1-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(1R)-1-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCCC4C5=CC=CS5

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCC[C@@H]4C5=CC=CS5

InChI

InChI=1S/C22H21N3OS2/c1-14(25-11-5-9-17(25)18-10-6-12-27-18)20-23-21(26)19-16(13-28-22(19)24-20)15-7-3-2-4-8-15/h2-4,6-8,10,12-14,17H,5,9,11H2,1H3,(H,23,24,26)/p+1/t14-,17-/m1/s1