3,7-dimethyl-1-[14-(octylamino)-13-oxidanyl-tetradecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[14-(octylamino)-13-oxidanyl-tetradecyl]purine-2,6-dione Openeye Name: 1-[13-hydroxy-14-(octylamino)tetradecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[13-hydroxy-14-(octylamino)tetradecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[13-hydroxy-14-(octylamino)tetradecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[13-hydroxy-14-(octylamino)tetradecyl]-3,7-dimethyl-xanthine Formula: C29H53N5O3 MolecularWeight: 519.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCNCC(CCCCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C29H53N5O3/c1-4-5-6-7-15-18-21-30-23-25(35)20-17-14-12-10-8-9-11-13-16-19-22-34-28(36)26-27(31-24-32(26)2)33(3)29(34)37/h24-25,30,35H,4-23H2,1-3H3