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

Systemtic Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4OS/c1-19-7-9-21(10-8-19)30-16-15-28-11-13-29(14-12-28)24-23-22(20-5-3-2-4-6-20)17-31-25(23)27-18-26-24/h2-10,17-18H,11-16H2,1H3/p+1