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

Systemtic Name: 1-[3,7-dimethyl-6,7-bis(oxidanyl)octyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6,7-dihydroxy-3,7-dimethyl-octyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6,7-dihydroxy-3,7-dimethyloctyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6,7-dihydroxy-3,7-dimethyloctyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6,7-dihydroxy-3,7-dimethyl-octyl)-3,7-dimethyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C(C)(C)O)O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(CCC(C(C)(C)O)O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C17H28N4O4/c1-11(6-7-12(22)17(2,3)25)8-9-21-15(23)13-14(18-10-19(13)4)20(5)16(21)24/h10-12,22,25H,6-9H2,1-5H3