[4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-iodanylbenzoate

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-iodanylbenzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C17H13FIN5O2 MolecularWeight: 465.220293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)I

InChI

InChI=1S/C17H13FIN5O2/c18-10-5-7-11(8-6-10)21-17-23-14(22-16(20)24-17)9-26-15(25)12-3-1-2-4-13(12)19/h1-8H,9H2,(H3,20,21,22,23,24)