4-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoic acid CAS Name: 4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoic acid IUPAC Name: 4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoic acid Traditional Name: 4-[(4,6-dianilino-s-triazin-2-yl)amino]benzoic acid Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O2/c29-19(30)15-11-13-18(14-12-15)25-22-27-20(23-16-7-3-1-4-8-16)26-21(28-22)24-17-9-5-2-6-10-17/h1-14H,(H,29,30)(H3,23,24,25,26,27,28)