6-chloranyl-9-heptan-4-yl-2-methyl-purine

Systemtic Name: 6-chloranyl-9-heptan-4-yl-2-methyl-purine Openeye Name: 6-chloro-2-methyl-9-(1-propylbutyl)purine CAS Name: 6-chloro-9-heptan-4-yl-2-methylpurine IUPAC Name: 6-chloro-9-heptan-4-yl-2-methylpurine Traditional Name: 6-chloro-2-methyl-9-(1-propylbutyl)purine Formula: C13H19ClN4 MolecularWeight: 266.76976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)N1C=NC2=C1N=C(N=C2Cl)C

Isomeric SMILES

CCCC(CCC)N1C=NC2=C1N=C(N=C2Cl)C

InChI

InChI=1S/C13H19ClN4/c1-4-6-10(7-5-2)18-8-15-11-12(14)16-9(3)17-13(11)18/h8,10H,4-7H2,1-3H3