1-[9,10-bis(oxidanyl)decyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[9,10-bis(oxidanyl)decyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(9,10-dihydroxydecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(9,10-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(9,10-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(9,10-dihydroxydecyl)-3,7-dimethyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCC(CO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCC(CO)O

InChI

InChI=1S/C17H28N4O4/c1-19-12-18-15-14(19)16(24)21(17(25)20(15)2)10-8-6-4-3-5-7-9-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3