8-(diethylamino)-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-(diethylamino)-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-hexyl-3-methyl-xanthine Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H27N5O2/c1-5-8-9-10-11-21-12-13(17-15(21)20(6-2)7-3)19(4)16(23)18-14(12)22/h5-11H2,1-4H3,(H,18,22,23)