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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-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-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H21N5O3S/c1-2-13-6-3-4-7-14(13)22-20-24-17(23-19(21)25-20)12-28-18(27)10-9-15(26)16-8-5-11-29-16/h3-8,11H,2,9-10,12H2,1H3,(H3,21,22,23,24,25)