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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic 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 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H14N6O3/c17-15-19-13(10-25-14(23)11-6-8-22(24)9-7-11)20-16(21-15)18-12-4-2-1-3-5-12/h1-9H,10H2,(H3,17,18,19,20,21)