3-ethyl-1-(3-oxidanylbutyl)-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-1-(3-oxidanylbutyl)-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-(3-hydroxybutyl)-7H-purine-2,6-dione CAS Name: 3-ethyl-1-(3-hydroxybutyl)-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-(3-hydroxybutyl)-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-(3-hydroxybutyl)-7H-purine-2,6-quinone Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCC(C)O)NC=N2

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCC(C)O)NC=N2

InChI

InChI=1S/C11H16N4O3/c1-3-14-9-8(12-6-13-9)10(17)15(11(14)18)5-4-7(2)16/h6-7,16H,3-5H2,1-2H3,(H,12,13)