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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-phenoxybutanoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-phenoxybutanoate CAS Name: 2-phenoxybutanoic 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-phenoxybutanoate Traditional Name: 2-phenoxybutyric acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C20H20FN5O3 MolecularWeight: 397.402903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=C(C=C2)F)N)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)OCC1=NC(=NC(=N1)NC2=CC=C(C=C2)F)N)OC3=CC=CC=C3

InChI

InChI=1S/C20H20FN5O3/c1-2-16(29-15-6-4-3-5-7-15)18(27)28-12-17-24-19(22)26-20(25-17)23-14-10-8-13(21)9-11-14/h3-11,16H,2,12H2,1H3,(H3,22,23,24,25,26)