9-butyl-2-chloranyl-6-imidazol-1-yl-purine

Systemtic Name: 9-butyl-2-chloranyl-6-imidazol-1-yl-purine Openeye Name: 9-butyl-2-chloro-6-imidazol-1-yl-purine CAS Name: 9-butyl-2-chloro-6-(1-imidazolyl)purine IUPAC Name: 9-butyl-2-chloro-6-imidazol-1-ylpurine Traditional Name: 9-butyl-2-chloro-6-imidazol-1-yl-purine Formula: C12H13ClN6 MolecularWeight: 276.72482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2N3C=CN=C3)Cl

Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2N3C=CN=C3)Cl

InChI

InChI=1S/C12H13ClN6/c1-2-3-5-18-8-15-9-10(18)16-12(13)17-11(9)19-6-4-14-7-19/h4,6-8H,2-3,5H2,1H3