N-tert-butyl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-22(2,3)25-19(28)14-26-9-11-27(12-10-26)20-17-13-18(16-7-5-4-6-8-16)29-21(17)24-15-23-20/h4-8,13,15H,9-12,14H2,1-3H3,(H,25,28)/p+1