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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CS5

InChI

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