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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-methoxy-4-methyl-benzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic 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-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C19H18FN5O3 MolecularWeight: 383.376323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O3/c1-11-3-4-12(9-15(11)27-2)17(26)28-10-16-23-18(21)25-19(24-16)22-14-7-5-13(20)6-8-14/h3-9H,10H2,1-2H3,(H3,21,22,23,24,25)