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

Systemtic Name: 1-(5-chloranylhexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5-chlorohexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-chlorohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-chlorohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-chlorohexyl)-3,7-dimethyl-xanthine Formula: C13H19ClN4O2 MolecularWeight: 298.76856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)Cl

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)Cl

InChI

InChI=1S/C13H19ClN4O2/c1-9(14)6-4-5-7-18-12(19)10-11(15-8-16(10)2)17(3)13(18)20/h8-9H,4-7H2,1-3H3