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

Systemtic Name: 7-hexadecanoyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-hexadecanoyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-oxohexadecyl)purine-2,6-dione IUPAC Name: 7-hexadecanoyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-hexadecanoyl-1,3-dimethyl-xanthine Formula: C23H38N4O3 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C23H38N4O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(28)27-18-24-21-20(27)22(29)26(3)23(30)25(21)2/h18H,4-17H2,1-3H3