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

Systemtic Name: methyl (2S)-2-[[4-(4-aminophenyl)sulfanyl-6-[(3-fluorophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(4-aminophenyl)sulfanyl-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[4-[(4-aminophenyl)thio]-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-aminophenyl)sulfanyl-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[(4-aminophenyl)thio]-6-(3-fluoroanilino)-s-triazin-2-yl]amino]-4-methyl-valeric acid methyl ester Formula: C22H25FN6O2S MolecularWeight: 456.536303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN6O2S/c1-13(2)11-18(19(30)31-3)26-21-27-20(25-16-6-4-5-14(23)12-16)28-22(29-21)32-17-9-7-15(24)8-10-17/h4-10,12-13,18H,11,24H2,1-3H3,(H2,25,26,27,28,29)/t18-/m0/s1