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

Systemtic Name: 5-(4-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c1-29-20-9-7-19(8-10-20)21-16-30-24-22(21)23(25-17-26-24)28-13-11-27(12-14-28)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3/p+1