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

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

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

Isomeric SMILES

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

InChI

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