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1-hexyl-3,7-dihydropurine-2,6-dione

1-hexyl-3,7-dihydropurine-2,6-dione

Systemtic Name:1-hexyl-3,7-dihydropurine-2,6-dione
Openeye Name:1-hexyl-3,7-dihydropurine-2,6-dione
CAS Name:1-hexyl-3,7-dihydropurine-2,6-dione
IUPAC Name:1-hexyl-3,7-dihydropurine-2,6-dione
Traditional Name:1-hexyl-7H-xanthine
Formula: C11H16N4O2
MolecularWeight: 236.27034
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(NC1=O)N=CN2


Isomeric SMILES

CCCCCCN1C(=O)C2=C(NC1=O)N=CN2


InChI

InChI=1S/C11H16N4O2/c1-2-3-4-5-6-15-10(16)8-9(13-7-12-8)14-11(15)17/h7H,2-6H2,1H3,(H,12,13)(H,14,17)


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