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

Systemtic Name: N-tert-butyl-2-[4-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N5O2S2+ MolecularWeight: 498.68388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)N4CC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

InChI=1S/C25H31N5O2S2/c1-17-26-23(19-14-20(34-24(19)27-17)18-8-6-5-7-9-18)33-16-22(32)30-12-10-29(11-13-30)15-21(31)28-25(2,3)4/h5-9,14H,10-13,15-16H2,1-4H3,(H,28,31)/p+1