3-[(6-azanyl-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 3-[(6-azanyl-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 3-[(6-amino-2-phenyl-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 3-[(6-amino-2-phenyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 3-[(6-amino-2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 3-[(6-amino-2-phenyl-pyrimidin-4-yl)amino]besylic acid Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c17-14-10-15(20-16(19-14)11-5-2-1-3-6-11)18-12-7-4-8-13(9-12)24(21,22)23/h1-10H,(H,21,22,23)(H3,17,18,19,20)