4-[[6-(cyanoamino)-1,4-dihydro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 4-[[6-(cyanoamino)-1,4-dihydro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[6-(cyanoamino)-1,4-dihydro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[6-(cyanoamino)-1,4-dihydro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 4-[[6-(cyanoamino)-1,4-dihydro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[6-(cyanoamino)-1,4-dihydro-s-triazin-2-yl]amino]besylic acid Formula: C10H10N6O3S MolecularWeight: 294.2898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1N=C(NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)NC#N

Isomeric SMILES

C1N=C(NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)NC#N

InChI

InChI=1S/C10H10N6O3S/c11-5-12-9-13-6-14-10(16-9)15-7-1-3-8(4-2-7)20(17,18)19/h1-4H,6H2,(H,17,18,19)(H3,12,13,14,15,16)