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

Systemtic Name: 2-azanyl-4-[(4-chloranyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-chloro-6-morpholino-s-triazin-2-yl)amino]besylic acid Formula: C13H15ClN6O4S MolecularWeight: 386.814

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)N

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)Cl)NC3=CC(=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C13H15ClN6O4S/c14-11-17-12(19-13(18-11)20-3-5-24-6-4-20)16-8-1-2-10(9(15)7-8)25(21,22)23/h1-2,7H,3-6,15H2,(H,21,22,23)(H,16,17,18,19)