methyl (2S)-2-[[4-chloranyl-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-chloranyl-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-chloro-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-chloro-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-chloro-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-chloro-6-(3-fluoroanilino)-s-triazin-2-yl]amino]-4-methyl-valeric acid methyl ester Formula: C16H19ClFN5O2 MolecularWeight: 367.805763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)Cl

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)Cl

InChI

InChI=1S/C16H19ClFN5O2/c1-9(2)7-12(13(24)25-3)20-16-22-14(17)21-15(23-16)19-11-6-4-5-10(18)8-11/h4-6,8-9,12H,7H2,1-3H3,(H2,19,20,21,22,23)/t12-/m0/s1