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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic 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 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H16N6O3 MolecularWeight: 388.37944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H16N6O3/c21-19-24-17(25-20(26-19)22-12-6-2-1-3-7-12)11-29-18(28)15-10-16(27)13-8-4-5-9-14(13)23-15/h1-10H,11H2,(H,23,27)(H3,21,22,24,25,26)