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

Systemtic Name: 1-[7,8-bis(oxidanyl)decyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(7,8-dihydroxydecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(7,8-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(7,8-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(7,8-dihydroxydecyl)-3,7-dimethyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-4-12(22)13(23)9-7-5-6-8-10-21-16(24)14-15(18-11-19(14)2)20(3)17(21)25/h11-13,22-23H,4-10H2,1-3H3