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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Formula: C30H29N4OS+ MolecularWeight: 493.64246

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H28N4OS/c1-35-25-14-12-22(13-15-25)26-20-36-30-27(26)29(31-21-32-30)34-18-16-33(17-19-34)28(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,20-21,28H,16-19H2,1H3/p+1