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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C12H12BrN5O3 MolecularWeight: 354.15938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C12H12BrN5O3/c1-20-6-2-3-8(13)7(4-6)10(19)21-5-9-16-11(14)18-12(15)17-9/h2-4H,5H2,1H3,(H4,14,15,16,17,18)