1-[4-(dihexadecylamino)phenyl]-1,3-diazinane-2,4,5,6-tetrone

Systemtic Name: 1-[4-(dihexadecylamino)phenyl]-1,3-diazinane-2,4,5,6-tetrone Openeye Name: 1-[4-(dihexadecylamino)phenyl]hexahydropyrimidine-2,4,5,6-tetrone CAS Name: 1-[4-(dihexadecylamino)phenyl]-1,3-diazinane-2,4,5,6-tetrone IUPAC Name: 1-[4-(dihexadecylamino)phenyl]-1,3-diazinane-2,4,5,6-tetrone Traditional Name: 1-[4-(dicetylamino)phenyl]alloxane Formula: C42H71N3O4 MolecularWeight: 682.03084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)N2C(=O)C(=O)C(=O)NC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)N2C(=O)C(=O)C(=O)NC2=O

InChI

InChI=1S/C42H71N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-44(36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-31-33-38(34-32-37)45-41(48)39(46)40(47)43-42(45)49/h31-34H,3-30,35-36H2,1-2H3,(H,43,47,49)