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

Systemtic Name: 1-[3,4-bis(oxidanyl)butyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(3,4-dihydroxybutyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(3,4-dihydroxybutyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(3,4-dihydroxybutyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(3,4-dihydroxybutyl)-3,7-dimethyl-xanthine Formula: C11H16N4O4 MolecularWeight: 268.26914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)4-3-7(17)5-16/h6-7,16-17H,3-5H2,1-2H3