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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-thiophen-2-ylbutanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic 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 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H23N5O2S/c1-2-14-7-3-4-10-16(14)22-20-24-17(23-19(21)25-20)13-27-18(26)11-5-8-15-9-6-12-28-15/h3-4,6-7,9-10,12H,2,5,8,11,13H2,1H3,(H3,21,22,23,24,25)