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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-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 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=NC(=NC(=N4)N)N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C21H18N6O2/c1-12-17(19(28)29-11-16-25-20(22)27-21(23)26-16)14-9-5-6-10-15(14)24-18(12)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H4,22,23,25,26,27)