2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid

Systemtic Name: 2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid Openeye Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid CAS Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid IUPAC Name: 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid Traditional Name: 2-[4-[(4,6-diamino-s-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolane-4,5-dicarboxylic acid Formula: C13H13AsN6O4S2 MolecularWeight: 456.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]3SC(C(S3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)N)[As]3SC(C(S3)C(=O)O)C(=O)O

InChI

InChI=1S/C13H13AsN6O4S2/c15-11-18-12(16)20-13(19-11)17-6-3-1-5(2-4-6)14-25-7(9(21)22)8(26-14)10(23)24/h1-4,7-8H,(H,21,22)(H,23,24)(H5,15,16,17,18,19,20)