[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-bromanylfuran-2-carboxylate

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-bromanylfuran-2-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H16BrN5O3/c1-2-10-5-3-4-6-11(10)20-17-22-14(21-16(19)23-17)9-25-15(24)12-7-8-13(18)26-12/h3-8H,2,9H2,1H3,(H3,19,20,21,22,23)