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

Systemtic Name: 8-(diethylamino)-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-(diethylamino)-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-lauryl-3-methyl-xanthine Formula: C22H39N5O2 MolecularWeight: 405.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N(CC)CC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H39N5O2/c1-5-8-9-10-11-12-13-14-15-16-17-27-18-19(23-21(27)26(6-2)7-3)25(4)22(29)24-20(18)28/h5-17H2,1-4H3,(H,24,28,29)