2-azanyl-4-[(4-chloranyl-6-ethyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(4-chloranyl-6-ethyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-chloro-6-ethyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-chloro-6-ethyl-s-triazin-2-yl)amino]besylic acid Formula: C11H12ClN5O3S MolecularWeight: 329.76268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=N1)Cl)NC2=CC(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

CCC1=NC(=NC(=N1)Cl)NC2=CC(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C11H12ClN5O3S/c1-2-9-15-10(12)17-11(16-9)14-6-3-4-8(7(13)5-6)21(18,19)20/h3-5H,2,13H2,1H3,(H,18,19,20)(H,14,15,16,17)