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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic 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 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H13BrN6O2 MolecularWeight: 401.21742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C16H13BrN6O2/c17-11-6-10(7-19-8-11)14(24)25-9-13-21-15(18)23-16(22-13)20-12-4-2-1-3-5-12/h1-8H,9H2,(H3,18,20,21,22,23)