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1,3-dibutyl-7H-purine-2,6-dione; oxane-2,3,4,5-tetrol

1,3-dibutyl-7H-purine-2,6-dione; oxane-2,3,4,5-tetrol

Systemtic Name:1,3-dibutyl-7H-purine-2,6-dione; oxane-2,3,4,5-tetrol
Openeye Name:1,3-dibutyl-7H-purine-2,6-dione; tetrahydropyran-2,3,4,5-tetrol
CAS Name:1,3-dibutyl-7H-purine-2,6-dione; oxane-2,3,4,5-tetrol
IUPAC Name:1,3-dibutyl-7H-purine-2,6-dione; oxane-2,3,4,5-tetrol
Traditional Name:1,3-dibutyl-7H-purine-2,6-quinone; tetrahydropyran-2,3,4,5-tetrol
Formula: C18H30N4O7
MolecularWeight: 414.4534
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC=N2.C1C(C(C(C(O1)O)O)O)O


Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)NC=N2.C1C(C(C(C(O1)O)O)O)O


InChI

InChI=1S/C13H20N4O2.C5H10O5/c1-3-5-7-16-11-10(14-9-15-11)12(18)17(13(16)19)8-6-4-2;6-2-1-10-5(9)4(8)3(2)7/h9H,3-8H2,1-2H3,(H,14,15);2-9H,1H2


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