[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-bromanyl-2-chloranyl-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C11H9BrClN5O2 MolecularWeight: 358.57846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)N)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)N)N)Cl

InChI

InChI=1S/C11H9BrClN5O2/c12-5-1-2-7(13)6(3-5)9(19)20-4-8-16-10(14)18-11(15)17-8/h1-3H,4H2,(H4,14,15,16,17,18)