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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate CAS Name: (2S)-2-(phenylthio)propanoic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-phenylsulfanylpropanoate Traditional Name: (2S)-2-(phenylthio)propionic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-15-9-7-8-12-17(15)23-21-25-18(24-20(22)26-21)13-28-19(27)14(2)29-16-10-5-4-6-11-16/h4-12,14H,3,13H2,1-2H3,(H3,22,23,24,25,26)/t14-/m0/s1