Identification Common Name 2-[[4[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazine-2-yl]amino]phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide Class Small Molecule Description 2-[[4[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazine-2-yl]amino]phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C34H49N13O3. With an average molecular weight of 687.85 g/mol, 2-[[4[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazine-2-yl]amino]phenyl]azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutanamide is a heavy molecule. Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source 2-[2-(4-{[4,6-bis({[3-(diethylamino)propyl]imino})-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]amino}phenyl)diazen-1-yl]-N-(2-hydroxy-1H-1,3-benzodiazol-6-yl)-3-oxobutanimidate Generator
Chemical Formula C34 H49 N13 O3 Average Molecular Mass 687.854 g/mol Monoisotopic Mass 687.408 g/mol CAS Registry Number 98809-11-1 IUPAC Name 2-[[4-[[4,6-bis[3-(diethylamino)propylamino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide Traditional Name 2-[2-(4-{[4,6-bis({[3-(diethylamino)propyl]imino})-1,5-dihydro-1,3,5-triazin-2-yl]amino}phenyl)diazen-1-yl]-N-(2-hydroxy-3H-1,3-benzodiazol-5-yl)-3-oxobutanimidic acid SMILES CCN(CC)CCCN=C1NC(NC2=CC=C(C=C2)N=NC(C(C)=O)C(O)=NC2=CC3=C(C=C2)N=C(O)N3)=NC(N1)=NCCCN(CC)CC InChI Identifier InChI=1S/C34H49N13O3/c1-6-46(7-2)20-10-18-35-31-41-32(36-19-11-21-47(8-3)9-4)43-33(42-31)38-24-12-14-25(15-13-24)44-45-29(23(5)48)30(49)37-26-16-17-27-28(22-26)40-34(50)39-27/h12-17,22,29H,6-11,18-21H2,1-5H3,(H,37,49)(H2,39,40,50)(H3,35,36,38,41,42,43) InChI Key XNZJIECTWUBCJT-UHFFFAOYSA-N Chemical Taxonomy Description belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Amino acids, peptides, and analogues Direct Parent Alpha amino acid amides Alternative Parents Substituents Alpha-amino acid amide
Benzimidazole
N-arylamide
Aniline or substituted anilines
Amino-1,3,5-triazine
Aminotriazine
N-aliphatic s-triazine
Secondary aliphatic/aromatic amine
Triazine
Monocyclic benzene moiety
1,3-dicarbonyl compound
1,3,5-triazine
Fatty acyl
Fatty amide
Benzenoid
Azole
Heteroaromatic compound
Imidazole
Azo compound
Carboxamide group
Ketone
Secondary carboxylic acid amide
Tertiary amine
Tertiary aliphatic amine
Urea
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Organonitrogen compound
Organic oxygen compound
Amine
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organopnictogen compound
Organic nitrogen compound
Organic oxide
Aromatic heteropolycyclic compound Molecular Framework Aromatic heteropolycyclic compounds External Descriptors Not Available 
