2-azanyl-4-[(2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(2-phenyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(2-phenylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(2-phenylpyrimidin-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(=C(C=C3)S(=O)(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c17-13-10-12(6-7-14(13)24(21,22)23)19-15-8-9-18-16(20-15)11-4-2-1-3-5-11/h1-10H,17H2,(H,18,19,20)(H,21,22,23)