6-piperazin-4-ium-1-yl-7H-purine chloride

Systemtic Name: 6-piperazin-4-ium-1-yl-7H-purine chloride Openeye Name: 6-piperazin-4-ium-1-yl-7H-purine chloride CAS Name: 6-(1-piperazin-4-iumyl)-7H-purine chloride IUPAC Name: 6-piperazin-4-ium-1-yl-7H-purine chloride Traditional Name: 6-piperazin-4-ium-1-yl-7H-purine chloride Formula: C9H13ClN6 MolecularWeight: 240.69272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC=NC3=C2NC=N3.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC=NC3=C2NC=N3.[Cl-]

InChI

InChI=1S/C9H12N6.ClH/c1-3-15(4-2-10-1)9-7-8(12-5-11-7)13-6-14-9;/h5-6,10H,1-4H2,(H,11,12,13,14);1H