5-(1-octadecoxypropyl)-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(1-octadecoxypropyl)-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-(1-octadecoxypropyl)-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-(1-octadecoxypropyl)-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(1-octadecoxypropyl)-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-phenyl-5-(1-stearyloxypropyl)barbituric acid Formula: C31H50N2O4 MolecularWeight: 514.7397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CC)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CC)C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C31H50N2O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-37-27(4-2)28-29(34)32-31(36)33(30(28)35)26-23-20-19-21-24-26/h19-21,23-24,27-28H,3-18,22,25H2,1-2H3,(H,32,34,36)