methyl 3-[2-[(4-acetamido-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate

Systemtic Name: methyl 3-[2-[(4-acetamido-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate Openeye Name: methyl 3-[2-[(4-acetamido-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate CAS Name: 3-[2-[(4-acetamido-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[(4-acetamido-6-methyl-1,3,5-triazin-2-yl)amino]butoxymethyl]benzoate Traditional Name: 3-[2-[(4-acetamido-6-methyl-s-triazin-2-yl)amino]butoxymethyl]benzoic acid methyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC1=CC=CC(=C1)C(=O)OC)NC2=NC(=NC(=N2)NC(=O)C)C

Isomeric SMILES

CCC(COCC1=CC=CC(=C1)C(=O)OC)NC2=NC(=NC(=N2)NC(=O)C)C

InChI

InChI=1S/C19H25N5O4/c1-5-16(23-19-21-12(2)20-18(24-19)22-13(3)25)11-28-10-14-7-6-8-15(9-14)17(26)27-4/h6-9,16H,5,10-11H2,1-4H3,(H2,20,21,22,23,24,25)