1-(2-methylphenyl)-5-[(octadecylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(2-methylphenyl)-5-[(octadecylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(octadecylamino)methylene]-1-(o-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(2-methylphenyl)-5-[(octadecylamino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(2-methylphenyl)-5-[(octadecylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(o-tolyl)-5-[(stearylamino)methylene]barbituric acid Formula: C30H47N3O3 MolecularWeight: 497.71248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC=C1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2C

InChI

InChI=1S/C30H47N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-24-26-28(34)32-30(36)33(29(26)35)27-22-19-18-21-25(27)2/h18-19,21-22,24,31H,3-17,20,23H2,1-2H3,(H,32,34,36)