N-tert-butyl-2-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H29N5OS/c1-16-5-7-17(8-6-16)18-14-30-22-20(18)21(24-15-25-22)28-11-9-27(10-12-28)13-19(29)26-23(2,3)4/h5-8,14-15H,9-13H2,1-4H3,(H,26,29)/p+1