[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CCC2=NC3=CC=CC=C3N(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N7O3/c1-31(2)25-29-21(28-24(26)30-25)16-35-22(33)13-12-19-23(34)32(15-14-17-8-4-3-5-9-17)20-11-7-6-10-18(20)27-19/h3-11H,12-16H2,1-2H3,(H2,26,28,29,30)