3-butyl-1-(4-oxidanylbutyl)-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-(4-oxidanylbutyl)-7H-purine-2,6-dione Openeye Name: 3-butyl-1-(4-hydroxybutyl)-7H-purine-2,6-dione CAS Name: 3-butyl-1-(4-hydroxybutyl)-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-(4-hydroxybutyl)-7H-purine-2,6-dione Traditional Name: 3-butyl-1-(4-hydroxybutyl)-7H-purine-2,6-quinone Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCO)NC=N2

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCO)NC=N2

InChI

InChI=1S/C13H20N4O3/c1-2-3-6-16-11-10(14-9-15-11)12(19)17(13(16)20)7-4-5-8-18/h9,18H,2-8H2,1H3,(H,14,15)