4-[[4-[(4-sulfophenyl)amino]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-[(4-sulfophenyl)amino]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-sulfoanilino)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-sulfoanilino)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(4-sulfoanilino)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-sulfoanilino)pyrimidin-2-yl]amino]benzoic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=CC(=N2)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O5S/c22-16(23)11-1-3-13(4-2-11)20-17-18-10-9-15(21-17)19-12-5-7-14(8-6-12)27(24,25)26/h1-10H,(H,22,23)(H,24,25,26)(H2,18,19,20,21)