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

Systemtic Name: 5-phenyl-2-[(1R)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-[(1R)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(1R)-1-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-[(1R)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(1R)-1-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H23N4O3S3+ MolecularWeight: 487.63802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1)[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H22N4O3S3/c1-15(25-9-11-26(12-10-25)32(28,29)18-8-5-13-30-18)20-23-21(27)19-17(14-31-22(19)24-20)16-6-3-2-4-7-16/h2-8,13-15H,9-12H2,1H3,(H,23,24,27)/p+1/t15-/m1/s1