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

Systemtic Name: N-tert-butyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-tert-butyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-tert-butyl-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-tert-butyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C3C=CSC3=NC=N2

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C3C=CSC3=NC=N2

InChI

InChI=1S/C16H23N5OS/c1-16(2,3)19-13(22)10-20-5-7-21(8-6-20)14-12-4-9-23-15(12)18-11-17-14/h4,9,11H,5-8,10H2,1-3H3,(H,19,22)/p+1