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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic 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 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CSC3=CC=CC=C3

InChI

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