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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-phenylfuran-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic 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 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C21H16FN5O3 MolecularWeight: 405.381843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)N

InChI

InChI=1S/C21H16FN5O3/c22-14-6-8-15(9-7-14)24-21-26-17(25-20(23)27-21)12-30-19(28)18-16(10-11-29-18)13-4-2-1-3-5-13/h1-11H,12H2,(H3,23,24,25,26,27)