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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-bromanylbenzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C11H10BrN5O2 MolecularWeight: 324.1334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrN5O2/c12-7-3-1-2-6(4-7)9(18)19-5-8-15-10(13)17-11(14)16-8/h1-4H,5H2,(H4,13,14,15,16,17)