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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-methylfuran-2-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-methylfuran-2-carboxylate CAS Name: 3-methyl-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-methylfuran-2-carboxylate Traditional Name: 3-methylfuran-2-carboxylic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C16H14FN5O3 MolecularWeight: 343.312463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

Isomeric SMILES

CC1=C(OC=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H14FN5O3/c1-9-6-7-24-13(9)14(23)25-8-12-20-15(18)22-16(21-12)19-11-4-2-10(17)3-5-11/h2-7H,8H2,1H3,(H3,18,19,20,21,22)