(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3-bromanylphenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic 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-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H16BrN5O3/c19-12-5-4-8-14(9-12)26-11-16(25)27-10-15-22-17(20)24-18(23-15)21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H3,20,21,22,23,24)