7-(5-chloranylpentyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(5-chloranylpentyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(5-chloropentyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(5-chloropentyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(5-chloropentyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-chloropentyl)-1,3-dimethyl-xanthine Formula: C12H17ClN4O2 MolecularWeight: 284.74198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCl

InChI

InChI=1S/C12H17ClN4O2/c1-15-10-9(11(18)16(2)12(15)19)17(8-14-10)7-5-3-4-6-13/h8H,3-7H2,1-2H3