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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-benzamidoethanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-benzamidoacetate CAS Name: 2-benzamidoacetic 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-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-2-14-8-6-7-11-16(14)24-21-26-17(25-20(22)27-21)13-30-18(28)12-23-19(29)15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H,23,29)(H3,22,24,25,26,27)