1-[4,5-bis(oxidanyl)hexyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[4,5-bis(oxidanyl)hexyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(4,5-dihydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(4,5-dihydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(4,5-dihydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4,5-dihydroxyhexyl)-3,7-dimethyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

Isomeric SMILES

CC(C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

InChI

InChI=1S/C13H20N4O4/c1-8(18)9(19)5-4-6-17-12(20)10-11(14-7-15(10)2)16(3)13(17)21/h7-9,18-19H,4-6H2,1-3H3