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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCCC(C)O)N(C)C

Isomeric SMILES

CCCCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCCCC(C)O)N(C)C

InChI

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