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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl pentanoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2CC)N

Isomeric SMILES

CCCCC(=O)OCC1=NC(=NC(=N1)NC2=CC=CC=C2CC)N

InChI

InChI=1S/C17H23N5O2/c1-3-5-10-15(23)24-11-14-20-16(18)22-17(21-14)19-13-9-7-6-8-12(13)4-2/h6-9H,3-5,10-11H2,1-2H3,(H3,18,19,20,21,22)