[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 6-bromanyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 6-bromo-2-phenyl-quinoline-4-carboxylate CAS Name: 6-bromo-2-phenyl-4-quinolinecarboxylic 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 6-bromo-2-phenylquinoline-4-carboxylate Traditional Name: 6-bromo-2-phenyl-cinchoninic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C22H19BrN6O2 MolecularWeight: 479.32926

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN6O2/c1-29(2)22-27-19(26-21(24)28-22)12-31-20(30)16-11-18(13-6-4-3-5-7-13)25-17-9-8-14(23)10-15(16)17/h3-11H,12H2,1-2H3,(H2,24,26,27,28)