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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4OS/c1-2-30-21-10-8-19(9-11-21)16-28-12-14-29(15-13-28)24-23-22(20-6-4-3-5-7-20)17-31-25(23)27-18-26-24/h3-11,17-18H,2,12-16H2,1H3/p+1