7-[2,3-bis(oxidanyl)propyl]-1,3-diethyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-diethyl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-diethyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-diethylpurine-2,6-dione Traditional Name: 1,3-diethyl-7-glyceryl-xanthine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CC(CO)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C=N2)CC(CO)O

InChI

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