8-chloranyl-1-hexyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-1-hexyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-1-hexyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1-hexyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-1-hexyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-chloro-1-hexyl-3,7-dimethyl-xanthine Formula: C13H19ClN4O2 MolecularWeight: 298.76856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2C)Cl)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2C)Cl)N(C1=O)C

InChI

InChI=1S/C13H19ClN4O2/c1-4-5-6-7-8-18-11(19)9-10(17(3)13(18)20)15-12(14)16(9)2/h4-8H2,1-3H3