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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C17H18N6O2/c1-3-11-9(2)14(10-6-4-5-7-12(10)20-11)15(24)25-8-13-21-16(18)23-17(19)22-13/h4-7H,3,8H2,1-2H3,(H4,18,19,21,22,23)