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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine CAS Name: 6-methyl-5-(4-methylphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(p-tolyl)thieno[2,3-d]pyrimidine Formula: C25H27N4S+ MolecularWeight: 415.57368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H26N4S/c1-18-8-10-21(11-9-18)22-19(2)30-25-23(22)24(26-17-27-25)29-14-12-28(13-15-29)16-20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3/p+1