(5E)-5-(anthracen-9-ylmethylidene)-1-butyl-3-phenethyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-(anthracen-9-ylmethylidene)-1-butyl-3-phenethyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-5-(9-anthrylmethylene)-1-butyl-3-phenethyl-hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-(9-anthracenylmethylidene)-1-butyl-3-phenethyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-(anthracen-9-ylmethylidene)-1-butyl-3-phenethyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-5-(9-anthrylmethylene)-1-butyl-3-phenethyl-barbituric acid Formula: C31H28N2O3 MolecularWeight: 476.56562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=C3C=CC=CC3=CC4=CC=CC=C42)/C(=O)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O3/c1-2-3-18-32-29(34)28(30(35)33(31(32)36)19-17-22-11-5-4-6-12-22)21-27-25-15-9-7-13-23(25)20-24-14-8-10-16-26(24)27/h4-16,20-21H,2-3,17-19H2,1H3/b28-21+