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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC3=CC=CC=C3C4=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)21-24-20-23-13-7-8-14-25(23)27-16-10-9-15-26(24)27/h4-16,20-21H,2-3,17-19H2,1H3