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1-[6-(4-chloranylphenoxy)hexyl]-7-hexyl-3-methyl-purine-2,6-dione

1-[6-(4-chloranylphenoxy)hexyl]-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name:1-[6-(4-chloranylphenoxy)hexyl]-7-hexyl-3-methyl-purine-2,6-dione
Openeye Name:1-[6-(4-chlorophenoxy)hexyl]-7-hexyl-3-methyl-purine-2,6-dione
CAS Name:1-[6-(4-chlorophenoxy)hexyl]-7-hexyl-3-methylpurine-2,6-dione
IUPAC Name:1-[6-(4-chlorophenoxy)hexyl]-7-hexyl-3-methylpurine-2,6-dione
Traditional Name:1-[6-(4-chlorophenoxy)hexyl]-7-hexyl-3-methyl-xanthine
Formula: C24H33ClN4O3
MolecularWeight: 460.99682
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)Cl


Isomeric SMILES

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)Cl


InChI

InChI=1S/C24H33ClN4O3/c1-3-4-5-8-15-28-18-26-22-21(28)23(30)29(24(31)27(22)2)16-9-6-7-10-17-32-20-13-11-19(25)12-14-20/h11-14,18H,3-10,15-17H2,1-2H3


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