1-[4,5-bis(oxidanyl)pentyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[4,5-bis(oxidanyl)pentyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(4,5-dihydroxypentyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(4,5-dihydroxypentyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(4,5-dihydroxypentyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4,5-dihydroxypentyl)-3,7-dimethyl-xanthine Formula: C12H18N4O4 MolecularWeight: 282.29572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c1-14-7-13-10-9(14)11(19)16(12(20)15(10)2)5-3-4-8(18)6-17/h7-8,17-18H,3-6H2,1-2H3