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

Systemtic Name: N-tert-butyl-2-[4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O2S2+ MolecularWeight: 484.6573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S2/c1-24(2,3)27-19(30)13-28-9-11-29(12-10-28)20(31)15-33-23-21-18(17-7-5-4-6-8-17)14-32-22(21)25-16-26-23/h4-8,14,16H,9-13,15H2,1-3H3,(H,27,30)/p+1