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

Systemtic Name: methyl 4-[[(4-azanyl-6-chloranyl-1,3,5-triazin-2-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]benzoate CAS Name: 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]benzoate Traditional Name: 4-[[(4-amino-6-chloro-s-triazin-2-yl)amino]methyl]benzoic acid methyl ester Formula: C12H12ClN5O2 MolecularWeight: 293.70898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)Cl

InChI

InChI=1S/C12H12ClN5O2/c1-20-9(19)8-4-2-7(3-5-8)6-15-12-17-10(13)16-11(14)18-12/h2-5H,6H2,1H3,(H3,14,15,16,17,18)