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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC(CO)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC(CO)O

InChI

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