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

Systemtic Name: 1-[5,6-bis(oxidanyl)decyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(5,6-dihydroxydecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5,6-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5,6-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5,6-dihydroxydecyl)-3,7-dimethyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

Isomeric SMILES

CCCCC(C(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O)O

InChI

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