2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(2-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C26H28N5OS+ MolecularWeight: 458.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5OS/c1-19-28-25(24-22(18-33-26(24)29-19)21-10-6-3-7-11-21)31-14-12-30(13-15-31)17-23(32)27-16-20-8-4-2-5-9-20/h2-11,18H,12-17H2,1H3,(H,27,32)/p+1