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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-thiophen-2-ylpropanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic 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 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCC3=CC=CS3

InChI

InChI=1S/C19H21N5O2S/c1-2-13-6-3-4-8-15(13)21-19-23-16(22-18(20)24-19)12-26-17(25)10-9-14-7-5-11-27-14/h3-8,11H,2,9-10,12H2,1H3,(H3,20,21,22,23,24)