methyl (2S)-2-[[4-[(3-fluorophenyl)amino]-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazin-2-yl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[4-[(3-fluorophenyl)amino]-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazin-2-yl]amino]propanoate Openeye Name: methyl (2S)-2-[[4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazin-2-yl]amino]propanoate CAS Name: (2S)-2-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)thio]-1,3,5-triazin-2-yl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazin-2-yl]amino]propanoate Traditional Name: (2S)-2-[[4-(3-fluoroanilino)-6-[(4-methoxyphenyl)thio]-s-triazin-2-yl]amino]propionic acid methyl ester Formula: C20H20FN5O3S MolecularWeight: 429.467903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)SC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)OC)NC1=NC(=NC(=N1)NC2=CC(=CC=C2)F)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20FN5O3S/c1-12(17(27)29-3)22-18-24-19(23-14-6-4-5-13(21)11-14)26-20(25-18)30-16-9-7-15(28-2)8-10-16/h4-12H,1-3H3,(H2,22,23,24,25,26)/t12-/m0/s1