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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-bromanylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-bromobenzoate CAS Name: 3-bromobenzoic 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 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H14BrN5O2 MolecularWeight: 400.22936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O2/c18-12-6-4-5-11(9-12)15(24)25-10-14-21-16(19)23-17(22-14)20-13-7-2-1-3-8-13/h1-9H,10H2,(H3,19,20,21,22,23)