octadecyl 4-ethoxy-5-fluoranyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate

Systemtic Name: octadecyl 4-ethoxy-5-fluoranyl-2,6-bis(oxidanylidene)-1,3-diazinane-5-carboxylate Openeye Name: octadecyl 4-ethoxy-5-fluoro-2,6-dioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-ethoxy-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylic acid octadecyl ester IUPAC Name: octadecyl 4-ethoxy-5-fluoro-2,6-dioxo-1,3-diazinane-5-carboxylate Traditional Name: 4-ethoxy-5-fluoro-2,6-diketo-hexahydropyrimidine-5-carboxylic acid stearyl ester Formula: C25H45FN2O5 MolecularWeight: 472.633603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1(C(NC(=O)NC1=O)OCC)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1(C(NC(=O)NC1=O)OCC)F

InChI

InChI=1S/C25H45FN2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-23(30)25(26)21(29)27-24(31)28-22(25)32-4-2/h22H,3-20H2,1-2H3,(H2,27,28,29,31)