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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C3=CC(=CC=C3)C(=O)O

InChI

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