4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-6-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-6-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine Formula: C22H22N5S+ MolecularWeight: 388.50858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(SC3=NC(=N2)C4=CC=CC=N4)C5=CC=CC=C5

InChI

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