6-[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 6-[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purine Openeye Name: 6-[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purine CAS Name: 6-[4-[(2,4-dichlorophenyl)methyl]-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 6-[4-[(2,4-dichlorophenyl)methyl]piperazin-4-ium-1-yl]-7H-purine Traditional Name: 6-[4-(2,4-dichlorobenzyl)piperazin-4-ium-1-yl]-7H-purine Formula: C16H17Cl2N6+ MolecularWeight: 364.25238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H16Cl2N6/c17-12-2-1-11(13(18)7-12)8-23-3-5-24(6-4-23)16-14-15(20-9-19-14)21-10-22-16/h1-2,7,9-10H,3-6,8H2,(H,19,20,21,22)/p+1