4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2-methoxyethyl)-1-piperazin-4-iumyl]-5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]-5-phenyl-2-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C23H25N4OS2+ MolecularWeight: 437.6008

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COCC[NH+]1CCN(CC1)C2=C3C(=CSC3=NC(=N2)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4OS2/c1-28-14-13-26-9-11-27(12-10-26)22-20-18(17-6-3-2-4-7-17)16-30-23(20)25-21(24-22)19-8-5-15-29-19/h2-8,15-16H,9-14H2,1H3/p+1