N-butyl-2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2-methyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(2-methyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N5OS2+ MolecularWeight: 430.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CS4

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C)C4=CC=CS4

InChI

InChI=1S/C21H27N5OS2/c1-3-4-7-22-18(27)13-25-8-10-26(11-9-25)20-19-16(17-6-5-12-28-17)14-29-21(19)24-15(2)23-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3,(H,22,27)/p+1