N-(2,6-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-ium-1-yl)acetamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C20H23N5OS/c1-14-4-3-5-15(2)18(14)23-17(26)12-24-7-9-25(10-8-24)19-16-6-11-27-20(16)22-13-21-19/h3-6,11,13H,7-10,12H2,1-2H3,(H,23,26)/p+1