9-hexadecyl-3,7-dihydropurine-2,6,8-trione

Systemtic Name: 9-hexadecyl-3,7-dihydropurine-2,6,8-trione Openeye Name: 9-hexadecyl-3,7-dihydropurine-2,6,8-trione CAS Name: 9-hexadecyl-3,7-dihydropurine-2,6,8-trione IUPAC Name: 9-hexadecyl-3,7-dihydropurine-2,6,8-trione Traditional Name: 9-cetyluric acid Formula: C21H36N4O3 MolecularWeight: 392.53554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(C(=O)NC(=O)N2)NC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(C(=O)NC(=O)N2)NC1=O

InChI

InChI=1S/C21H36N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-18-17(22-21(25)28)19(26)24-20(27)23-18/h2-16H2,1H3,(H,22,28)(H2,23,24,26,27)