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

Systemtic Name: 4-[(4-azanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 4-[(4-amino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 4-[(4-amino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(4-amino-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 4-[(4-amino-s-triazin-2-yl)amino]besylic acid Formula: C9H9N5O3S MolecularWeight: 267.26446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC(=N2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC(=N2)N)S(=O)(=O)O

InChI

InChI=1S/C9H9N5O3S/c10-8-11-5-12-9(14-8)13-6-1-3-7(4-2-6)18(15,16)17/h1-5H,(H,15,16,17)(H3,10,11,12,13,14)