4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,6-diphenyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,6-diphenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,6-diphenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2,6-diphenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,6-diphenylthieno[2,3-d]pyrimidine Traditional Name: 2,6-diphenyl-4-(4-piperonylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine Formula: C30H27N4O2S+ MolecularWeight: 507.62598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=C(SC5=NC(=N4)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C5C=C(SC5=NC(=N4)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C30H26N4O2S/c1-3-7-22(8-4-1)27-18-24-29(31-28(32-30(24)37-27)23-9-5-2-6-10-23)34-15-13-33(14-16-34)19-21-11-12-25-26(17-21)36-20-35-25/h1-12,17-18H,13-16,19-20H2/p+1