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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5

InChI

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