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

Systemtic Name: 8-(diethylamino)-7-hexadecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-hexadecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 7-cetyl-8-(diethylamino)-3-methyl-xanthine Formula: C26H47N5O2 MolecularWeight: 461.68368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H47N5O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-22-23(27-25(31)30(6-2)7-3)29(4)26(33)28-24(22)32/h5-21H2,1-4H3,(H,28,32,33)