7-[3,4-bis(oxidanyl)butyl]-1,3-diethyl-purine-2,6-dione

Systemtic Name: 7-[3,4-bis(oxidanyl)butyl]-1,3-diethyl-purine-2,6-dione Openeye Name: 7-(3,4-dihydroxybutyl)-1,3-diethyl-purine-2,6-dione CAS Name: 7-(3,4-dihydroxybutyl)-1,3-diethylpurine-2,6-dione IUPAC Name: 7-(3,4-dihydroxybutyl)-1,3-diethylpurine-2,6-dione Traditional Name: 7-(3,4-dihydroxybutyl)-1,3-diethyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4/c1-3-16-11-10(12(20)17(4-2)13(16)21)15(8-14-11)6-5-9(19)7-18/h8-9,18-19H,3-7H2,1-2H3