(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic 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-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C17H14BrN5O3 MolecularWeight: 416.22876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O3/c18-10-6-7-13(24)12(8-10)15(25)26-9-14-21-16(19)23-17(22-14)20-11-4-2-1-3-5-11/h1-8,24H,9H2,(H3,19,20,21,22,23)