3-[[2,6-bis(chloranyl)phenyl]methyl]-N,N-dimethyl-7H-purin-3-ium-6-amine

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl]-N,N-dimethyl-7H-purin-3-ium-6-amine Openeye Name: 3-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-7H-purin-3-ium-6-amine CAS Name: 3-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-7H-purin-3-ium-6-amine IUPAC Name: 3-[(2,6-dichlorophenyl)methyl]-N,N-dimethyl-7H-purin-3-ium-6-amine Traditional Name: [3-(2,6-dichlorobenzyl)-7H-purin-3-ium-6-yl]-dimethyl-amine Formula: C14H14Cl2N5+ MolecularWeight: 323.20046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=[N+](C=N1)CC3=C(C=CC=C3Cl)Cl)N=CN2

Isomeric SMILES

CN(C)C1=C2C(=[N+](C=N1)CC3=C(C=CC=C3Cl)Cl)N=CN2

InChI

InChI=1S/C14H13Cl2N5/c1-20(2)13-12-14(18-7-17-12)21(8-19-13)6-9-10(15)4-3-5-11(9)16/h3-5,7-8H,6H2,1-2H3/p+1