3,7-dimethyl-1-[5-oxidanyl-6-(tetradecylamino)hexyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[5-oxidanyl-6-(tetradecylamino)hexyl]purine-2,6-dione Openeye Name: 1-[5-hydroxy-6-(tetradecylamino)hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-6-(tetradecylamino)hexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-6-(tetradecylamino)hexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(myristylamino)hexyl]-3,7-dimethyl-xanthine Formula: C27H49N5O3 MolecularWeight: 491.70966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C27H49N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-28-21-23(33)18-15-17-20-32-26(34)24-25(29-22-30(24)2)31(3)27(32)35/h22-23,28,33H,4-21H2,1-3H3