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

Systemtic Name: 3,7-dimethyl-1-(7-oxidanyloctyl)purine-2,6-dione Openeye Name: 1-(7-hydroxyoctyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(7-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(7-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(7-hydroxyoctyl)-3,7-dimethyl-xanthine Formula: C15H24N4O3 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C15H24N4O3/c1-11(20)8-6-4-5-7-9-19-14(21)12-13(16-10-17(12)2)18(3)15(19)22/h10-11,20H,4-9H2,1-3H3