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

Systemtic Name: 6-methyl-5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 6-methyl-5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 6-methyl-5-phenyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-methyl-5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 6-methyl-5-phenyl-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C22H22N5S+ MolecularWeight: 388.50858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

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