1-[3,8-dimethyl-7,8-bis(oxidanyl)nonyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3,8-dimethyl-7,8-bis(oxidanyl)nonyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(7,8-dihydroxy-3,8-dimethyl-nonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(7,8-dihydroxy-3,8-dimethylnonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(7,8-dihydroxy-3,8-dimethylnonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(7,8-dihydroxy-3,8-dimethyl-nonyl)-3,7-dimethyl-xanthine Formula: C18H30N4O4 MolecularWeight: 366.4552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O4/c1-12(7-6-8-13(23)18(2,3)26)9-10-22-16(24)14-15(19-11-20(14)4)21(5)17(22)25/h11-13,23,26H,6-10H2,1-5H3