3-(1,4-dihydro-1,3,5-triazin-2-ylamino)benzenesulfonic acid

Systemtic Name: 3-(1,4-dihydro-1,3,5-triazin-2-ylamino)benzenesulfonic acid Openeye Name: 3-(1,4-dihydro-1,3,5-triazin-2-ylamino)benzenesulfonic acid CAS Name: 3-(1,4-dihydro-1,3,5-triazin-2-ylamino)benzenesulfonic acid IUPAC Name: 3-(1,4-dihydro-1,3,5-triazin-2-ylamino)benzenesulfonic acid Traditional Name: 3-(1,4-dihydro-s-triazin-2-ylamino)besylic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1N=CNC(=N1)NC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

C1N=CNC(=N1)NC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C9H10N4O3S/c14-17(15,16)8-3-1-2-7(4-8)13-9-11-5-10-6-12-9/h1-5H,6H2,(H,14,15,16)(H2,10,11,12,13)