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1-hexyl-7-methyl-3-propyl-purine-2,6-dione

1-hexyl-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name:1-hexyl-7-methyl-3-propyl-purine-2,6-dione
Openeye Name:1-hexyl-7-methyl-3-propyl-purine-2,6-dione
CAS Name:1-hexyl-7-methyl-3-propylpurine-2,6-dione
IUPAC Name:1-hexyl-7-methyl-3-propylpurine-2,6-dione
Traditional Name:1-hexyl-7-methyl-3-propyl-xanthine
Formula: C15H24N4O2
MolecularWeight: 292.37666
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCC


Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCC


InChI

InChI=1S/C15H24N4O2/c1-4-6-7-8-10-19-14(20)12-13(16-11-17(12)3)18(9-5-2)15(19)21/h11H,4-10H2,1-3H3


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