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

Systemtic Name: methyl (2S)-2-[[4-[2-cyanoethyl(methyl)amino]-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-[2-cyanoethyl(methyl)amino]-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-[2-cyanoethyl(methyl)amino]-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[2-cyanoethyl(methyl)amino]-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[2-cyanoethyl(methyl)amino]-6-(3-fluoroanilino)-s-triazin-2-yl]amino]-4-methyl-valeric acid methyl ester Formula: C20H26FN7O2 MolecularWeight: 415.464543

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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)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN7O2/c1-13(2)11-16(17(29)30-4)24-19-25-18(23-15-8-5-7-14(21)12-15)26-20(27-19)28(3)10-6-9-22/h5,7-8,12-13,16H,6,10-11H2,1-4H3,(H2,23,24,25,26,27)/t16-/m0/s1