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3,7-dibutyl-1-(2-oxidanylidenepropyl)purine-2,6-dione

3,7-dibutyl-1-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name:3,7-dibutyl-1-(2-oxidanylidenepropyl)purine-2,6-dione
Openeye Name:1-acetonyl-3,7-dibutyl-purine-2,6-dione
CAS Name:3,7-dibutyl-1-(2-oxopropyl)purine-2,6-dione
IUPAC Name:3,7-dibutyl-1-(2-oxopropyl)purine-2,6-dione
Traditional Name:1-acetonyl-3,7-dibutyl-xanthine
Formula: C16H24N4O3
MolecularWeight: 320.38676
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)C


Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)C


InChI

InChI=1S/C16H24N4O3/c1-4-6-8-18-11-17-14-13(18)15(22)20(10-12(3)21)16(23)19(14)9-7-5-2/h11H,4-10H2,1-3H3


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