(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,4-dimethylquinoline-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H20N6O2/c1-13-16-10-6-7-11-17(16)24-14(2)19(13)20(29)30-12-18-26-21(23)28-22(27-18)25-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H3,23,25,26,27,28)