(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-furancarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-(4-fluorophenyl)furan-2-carboxylate Traditional Name: 5-(4-fluorophenyl)furan-2-carboxylic acid (4-amino-6-anilino-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)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)C4=CC=C(C=C4)F

InChI

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