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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C13H14BrN5O4 MolecularWeight: 384.18536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=NC(=NC(=N2)N)N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)OCC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C13H14BrN5O4/c1-21-7-3-6(4-8(22-2)10(7)14)11(20)23-5-9-17-12(15)19-13(16)18-9/h3-4H,5H2,1-2H3,(H4,15,16,17,18,19)