ethyl 2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate CAS Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]acetate Traditional Name: 2-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methylthio]acetic acid ethyl ester Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC(=O)OCC

InChI

InChI=1S/C16H21N5O2S/c1-3-11-7-5-6-8-12(11)18-16-20-13(19-15(17)21-16)9-24-10-14(22)23-4-2/h5-8H,3-4,9-10H2,1-2H3,(H3,17,18,19,20,21)