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

Systemtic Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-octadecyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]-7-octadecyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-octadecylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-octadecylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(2-methylpiperidino)methyl]-7-stearyl-xanthine Formula: C32H57N5O2 MolecularWeight: 543.82728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C

InChI

InChI=1S/C32H57N5O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-37-28(26-36-24-22-20-23-27(36)2)33-30-29(37)31(38)35(4)32(39)34(30)3/h27H,5-26H2,1-4H3