3-[1-(dimethylamino)hexyl]-1-methyl-7-(14-oxidanylpentadecyl)purine-2,6-dione

Systemtic Name: 3-[1-(dimethylamino)hexyl]-1-methyl-7-(14-oxidanylpentadecyl)purine-2,6-dione Openeye Name: 3-[1-(dimethylamino)hexyl]-7-(14-hydroxypentadecyl)-1-methyl-purine-2,6-dione CAS Name: 3-[1-(dimethylamino)hexyl]-7-(14-hydroxypentadecyl)-1-methylpurine-2,6-dione IUPAC Name: 3-[1-(dimethylamino)hexyl]-7-(14-hydroxypentadecyl)-1-methylpurine-2,6-dione Traditional Name: 3-[1-(dimethylamino)hexyl]-7-(14-hydroxypentadecyl)-1-methyl-xanthine Formula: C29H53N5O3 MolecularWeight: 519.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCCCCCCCC(C)O)N(C)C

Isomeric SMILES

CCCCCC(N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCCCCCCCCC(C)O)N(C)C

InChI

InChI=1S/C29H53N5O3/c1-6-7-17-21-25(31(3)4)34-27-26(28(36)32(5)29(34)37)33(23-30-27)22-19-16-14-12-10-8-9-11-13-15-18-20-24(2)35/h23-25,35H,6-22H2,1-5H3