1,3-dimethyl-7-octadecyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-octadecyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-octadecyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-octadecylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-octadecylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-stearyl-xanthine Formula: C25H44N4O2 MolecularWeight: 432.64246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-21-26-23-22(29)24(30)28(3)25(31)27(23)2/h21H,4-20H2,1-3H3