8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione

Systemtic Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione Openeye Name: 8-[(3,5-dimethyl-1-piperidyl)methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione CAS Name: 8-[(3,5-dimethyl-1-piperidinyl)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione IUPAC Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione Traditional Name: 8-[(3,5-dimethylpiperidino)methyl]-1,3-dimethyl-7-stearyl-xanthine Formula: C33H59N5O2 MolecularWeight: 557.85386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(CC(C3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CC(CC(C3)C)C

InChI

InChI=1S/C33H59N5O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-38-29(26-37-24-27(2)23-28(3)25-37)34-31-30(38)32(39)36(5)33(40)35(31)4/h27-28H,6-26H2,1-5H3