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

Systemtic Name: 2-azanyl-4-[[4-(cyanoamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-(cyanoamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-(cyanoamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-(cyanoamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-(cyanoamino)-6-(3-sulfoanilino)-s-triazin-2-yl]amino]besylic acid Formula: C16H14N8O6S2 MolecularWeight: 478.46236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)N)NC#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)N)NC#N

InChI

InChI=1S/C16H14N8O6S2/c17-8-19-14-22-15(20-9-2-1-3-11(6-9)31(25,26)27)24-16(23-14)21-10-4-5-13(12(18)7-10)32(28,29)30/h1-7H,18H2,(H,25,26,27)(H,28,29,30)(H3,19,20,21,22,23,24)