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

Systemtic Name: 3-[[6-azanyl-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Openeye Name: 3-[[6-amino-5-(p-tolyl)-1,2,4-triazin-3-yl]amino]benzoic acid CAS Name: 3-[[6-amino-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid IUPAC Name: 3-[[6-amino-5-(4-methylphenyl)-1,2,4-triazin-3-yl]amino]benzoic acid Traditional Name: 3-[[6-amino-5-(p-tolyl)-1,2,4-triazin-3-yl]amino]benzoic acid Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)NC3=CC=CC(=C3)C(=O)O)N

InChI

InChI=1S/C17H15N5O2/c1-10-5-7-11(8-6-10)14-15(18)21-22-17(20-14)19-13-4-2-3-12(9-13)16(23)24/h2-9H,1H3,(H2,18,21)(H,23,24)(H,19,20,22)