2,6-di(pyridin-1-ium-1-yl)-7H-purine dichloride

Systemtic Name: 2,6-di(pyridin-1-ium-1-yl)-7H-purine dichloride Openeye Name: 2,6-di(pyridin-1-ium-1-yl)-7H-purine dichloride CAS Name: 2,6-bis(1-pyridin-1-iumyl)-7H-purine dichloride IUPAC Name: 2,6-di(pyridin-1-ium-1-yl)-7H-purine dichloride Traditional Name: 2,6-di(pyridin-1-ium-1-yl)-7H-purine dichloride Formula: C15H12Cl2N6 MolecularWeight: 347.20198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=NC(=NC3=C2NC=N3)[N+]4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=NC(=NC3=C2NC=N3)[N+]4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C15H12N6.2ClH/c1-3-7-20(8-4-1)14-12-13(17-11-16-12)18-15(19-14)21-9-5-2-6-10-21;;/h1-11H,(H,16,17,18,19);2*1H/q+2;;/p-2