4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidine Formula: C22H22N5S+ MolecularWeight: 388.50858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5S/c1-26-10-12-27(13-11-26)21-19-18(16-6-3-2-4-7-16)15-28-22(19)25-20(24-21)17-8-5-9-23-14-17/h2-9,14-15H,10-13H2,1H3/p+1