1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(7H-purin-6-ylthio)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylsulfanyl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(7H-purin-6-ylthio)propan-1-one Formula: C25H27N6OS+ MolecularWeight: 459.58648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C25H26N6OS/c32-21(11-16-33-25-22-24(27-17-26-22)28-18-29-25)30-12-14-31(15-13-30)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,17-18,23H,11-16H2,(H,26,27,28,29)/p+1