2-[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C21H28N5OS2+ MolecularWeight: 430.60992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CS4)C)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)C4=CC=CS4)C)C

InChI

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