[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-13-8-6-7-11-16(13)22-20-24-17(23-19(21)25-20)12-27-18(26)14(2)28-15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3,(H3,21,22,23,24,25)/t14-/m0/s1