(2S)-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)C(C5=CC=CC=C5)C(=O)N

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)[C@@H](C5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C25H25N5OS/c1-17-27-24(20-16-21(32-25(20)28-17)18-8-4-2-5-9-18)30-14-12-29(13-15-30)22(23(26)31)19-10-6-3-7-11-19/h2-11,16,22H,12-15H2,1H3,(H2,26,31)/p+1/t22-/m0/s1