6-chloranyl-2-[(E)-2-phenylethenyl]-7H-purin-9-ium chloride

Systemtic Name: 6-chloranyl-2-[(E)-2-phenylethenyl]-7H-purin-9-ium chloride Openeye Name: 6-chloro-2-[(E)-styryl]-7H-purin-9-ium chloride CAS Name: 6-chloro-2-[(E)-2-phenylethenyl]-7H-purin-9-ium chloride IUPAC Name: 6-chloro-2-[(E)-2-phenylethenyl]-7H-purin-9-ium chloride Traditional Name: 6-chloro-2-[(E)-styryl]-7H-purin-9-ium chloride Formula: C13H10Cl2N4 MolecularWeight: 293.1513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=NC3=C(C(=N2)Cl)NC=[NH+]3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=C(C(=N2)Cl)NC=[NH+]3.[Cl-]

InChI

InChI=1S/C13H9ClN4.ClH/c14-12-11-13(16-8-15-11)18-10(17-12)7-6-9-4-2-1-3-5-9;/h1-8H,(H,15,16,17,18);1H/b7-6+;