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

Systemtic Name: 1-[6,7-bis(oxidanyl)nonyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6,7-dihydroxynonyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6,7-dihydroxynonyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6,7-dihydroxynonyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6,7-dihydroxynonyl)-3,7-dimethyl-xanthine Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

Isomeric SMILES

CCC(C(CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

InChI

InChI=1S/C16H26N4O4/c1-4-11(21)12(22)8-6-5-7-9-20-15(23)13-14(17-10-18(13)2)19(3)16(20)24/h10-12,21-22H,4-9H2,1-3H3