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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-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 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C21H26N6O2/c1-5-9-15-13(6-2)18(14-10-7-8-11-16(14)23-15)19(28)29-12-17-24-20(22)26-21(25-17)27(3)4/h7-8,10-11H,5-6,9,12H2,1-4H3,(H2,22,24,25,26)