5-(4-methylphenyl)-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

InChI=1S/C23H23N5S/c1-17-2-4-19(5-3-17)20-15-29-23-21(20)22(25-16-26-23)28-12-10-27(11-13-28)14-18-6-8-24-9-7-18/h2-9,15-16H,10-14H2,1H3/p+1