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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NC(=C2C(=CSC2=N1)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

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