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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl (2S)-2-phenoxybutanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl (2S)-2-phenoxybutanoate CAS Name: (2S)-2-phenoxybutanoic 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-phenoxybutanoate Traditional Name: (2S)-2-phenoxybutyric acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C(CC)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)[C@H](CC)OC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O3/c1-3-15-10-8-9-13-17(15)24-22-26-19(25-21(23)27-22)14-29-20(28)18(4-2)30-16-11-6-5-7-12-16/h5-13,18H,3-4,14H2,1-2H3,(H3,23,24,25,26,27)/t18-/m0/s1