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

Systemtic Name: 2-azanyl-4-[[4-(tert-butylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(tert-butylamino)-6-chloro-s-triazin-2-yl]amino]besylic acid Formula: C13H17ClN6O3S MolecularWeight: 372.83048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

Isomeric SMILES

CC(C)(C)NC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

InChI

InChI=1S/C13H17ClN6O3S/c1-13(2,3)20-12-18-10(14)17-11(19-12)16-7-4-5-9(8(15)6-7)24(21,22)23/h4-6H,15H2,1-3H3,(H,21,22,23)(H2,16,17,18,19,20)