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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 6-methyl-5-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine CAS Name: 6-methyl-5-(4-methylphenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-methyl-5-(4-methylphenyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 6-methyl-5-(p-tolyl)-4-(4-pyridin-1-ium-2-ylpiperazino)thieno[2,3-d]pyrimidine Formula: C23H24N5S+ MolecularWeight: 402.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C23H23N5S/c1-16-6-8-18(9-7-16)20-17(2)29-23-21(20)22(25-15-26-23)28-13-11-27(12-14-28)19-5-3-4-10-24-19/h3-10,15H,11-14H2,1-2H3/p+1