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

Systemtic Name: 7-hexadecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-hexadecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexadecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-hexadecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-cetyl-1,3-dimethyl-xanthine Formula: C23H40N4O2 MolecularWeight: 404.5893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H40N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-19-24-21-20(27)22(28)26(3)23(29)25(21)2/h19H,4-18H2,1-3H3